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Screening compounds

Oxyclipine

Also known as Oxiclipinum, Propenzolate, Oxiclipina

CAS 4354-45-4Formula C20H29NO3Molar mass 331.46 g/mol
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Oxyclipine chemical structure, C20H29NO3, CAS 4354-45-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4354-45-4
Formula
C20H29NO3
Molar mass
331.46 g/mol
HS code
293339
Category
Screening compounds

What is Oxyclipine?

Plain description, key identifiers and synonyms

Oxyclipine is a member of piperidines.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(3R)-1-methylpiperidin-3-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate
CAS number
4354-45-4 CAS number cross-checked
Molecular formula
C20H29NO3
UNII
OP853VBF2G
InChIKey
LCFBCKSQWVQIBY-QSVWIEALSA-N
InChI
InChI=1S/C20H29NO3/c1-21-14-8-13-18(15-21)24-19(22)20(23,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17-18,23H,3,6-8,11-15H2,1H3/t18-,20?/m1/s1
Canonical SMILES
CN1CCCC(OC(=O)C(O)(c2ccccc2)C2CCCCC2)C1
Isomeric SMILES
CN1CCC[C@H](C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O

Synonyms

  • Oxiclipinum
  • Propenzolate
  • Oxiclipina
  • Oxyclipinum
  • JB 840
  • Oxyclipinum (INN-Latin)
  • 1-Methyl-3-piperidyl alpha-cyclohexylmandelat
  • Oxiclipina (INN-Spanish)
  • N-Methyl-3-piperidyl-alpha-cyclohexyl mandelate
  • 1-Methyl-3-piperidyl alpha-phenylcyclohexaneglycolate
  • 1-Methyl-3-piperidyl (+-)-alpha-phenylcyclohexane-glycolate
  • 3-Piperidinol, 1-methyl-, alpha-phenylcyclohexaneglycolate (ester)
  • Cyclohexaneglycolic acid, alpha-phenyl-, 1-methyl-3-piperidyl ester
  • Delinal (Salt/Mix)
  • Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, 1-methyl-3-piperidinyl ester
  • NDR 263 (Salt/Mix)
  • Propenzolate hydrochloride (Salt/Mix)
  • 1-Methyl-3-piperidyl cyclohexylphenylglycolate
  • 3-Piperidinol, 1-methyl-, alpha-phenylcyclohexaneglycolate
  • (+)-1-Methyl-3-piperidyl (+-)-alpha-phenylcyclohexaneglycolate
  • Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, (+-)-, (+)-1-methyl-3-piperidinyl ester
  • (3R)-1-Methylpiperidin-3-yl cyclohexyl(hydroxy)phenylacetate
  • (+)-1-Methyl-3-piperidyl (+/-)-alpha-phenylcyclohexaneglycolate
  • Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, (+/-)-, (+)-1-methyl-3-piperidinyl ester

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
331.46 g/molcalc.
Exact mass
331.2147 Dacalc.
LogP (octanol/water)
3.09calc.
Topological polar surface area
49.77 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
4calc.
Heavy atoms
24calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.65calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(OC1CCCNC1)C(c1ccccc1)C1CCCCC1

O=C(OC1CCCNC1)C(c1ccccc1)C1CCCCC1

3 rings, 22 atoms.

3 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Oxyclipine suppliers

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Oxyclipine price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Oxyclipine is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Oxyclipine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Oxyclipine, based on the data on this page

What is Oxyclipine?

Oxyclipine is a member of piperidines.

What is the CAS number of Oxyclipine?

The CAS registry number of Oxyclipine is 4354-45-4.

What is the molecular formula and weight of Oxyclipine?

The molecular formula of Oxyclipine is C20H29NO3 and its molar mass is 331.46 g/mol.

What is Oxyclipine used for?

Known uses and roles of Oxyclipine include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Oxyclipine hazardous?

No GHS hazard classification for Oxyclipine is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Oxyclipine?

Oxyclipine is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Oxyclipine?

Post a free request on CompoundList and suppliers of Oxyclipine will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Oxyclipine?

Suppliers quote Oxyclipine on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Oxyclipine

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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