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Screening compounds

Orphine

Also known as 1-[1-(1-phenylethyl)piperidin-4-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one, 1-(1-(1-phenylethyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one, 1,3-Dihydro-1-[1-(1-phenylethyl)piperidin-4-yl]-2H-benzo[d]imidazol-2-one

CAS 59708-49-5Formula C20H23N3OMolar mass 321.42 g/mol
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Orphine chemical structure, C20H23N3O, CAS 59708-49-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
59708-49-5
Formula
C20H23N3O
Molar mass
321.42 g/mol
HS code
293339
Category
Screening compounds

What is Orphine?

Plain description, key identifiers and synonyms

Orphine is a chemical substance with the molecular formula C20H23N3O and a molar mass of 321.42 g/mol. Its CAS registry number is 59708-49-5. The IUPAC name is 3-[1-(1-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[1-(1-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CAS number
59708-49-5
Molecular formula
C20H23N3O
InChIKey
XUDUTRMKKYUAKI-UHFFFAOYSA-N
InChI
InChI=1S/C20H23N3O/c1-15(16-7-3-2-4-8-16)22-13-11-17(12-14-22)23-19-10-6-5-9-18(19)21-20(23)24/h2-10,15,17H,11-14H2,1H3,(H,21,24)
SMILES (canonical and isomeric)
CC(C1=CC=CC=C1)N2CCC(CC2)N3C4=CC=CC=C4NC3=O

Synonyms

  • 1-[1-(1-phenylethyl)piperidin-4-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
  • 1-(1-(1-phenylethyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
  • 1,3-Dihydro-1-[1-(1-phenylethyl)piperidin-4-yl]-2H-benzo[d]imidazol-2-one

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
321.42 g/molcalc.
Exact mass
321.1841 Dacalc.
LogP (octanol/water)
3.73calc.
Topological polar surface area
41.03 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
3calc.
Heavy atoms
24calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.35calc.
Formal charge
0calc.
Stereocentres
1calc.
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=c1[nH]c2ccccc2n1C1CCN(Cc2ccccc2)CC1

O=c1[nH]c2ccccc2n1C1CCN(Cc2ccccc2)CC1

4 rings, 23 atoms, the 1,3-Dihydro-1-[1-(phenylmethyl)-4-piperidinyl]-2H-benzimidazol-2-one ring system.

112 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.

Orphine suppliers

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All 2 suppliers

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Where suppliers are based

2 suppliers in 2 countries

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Orphine price

Indicative price range per kg from live supplier offers

No published prices right now

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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 Orphine 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 Orphine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Orphine?

Orphine is a chemical substance with the molecular formula C20H23N3O and a molar mass of 321.42 g/mol. Its CAS registry number is 59708-49-5. The IUPAC name is 3-[1-(1-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one.

What is the CAS number of Orphine?

The CAS registry number of Orphine is 59708-49-5.

What is the molecular formula and weight of Orphine?

The molecular formula of Orphine is C20H23N3O and its molar mass is 321.42 g/mol.

What is Orphine used for?

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

Is Orphine hazardous?

No GHS hazard classification for Orphine 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 Orphine?

Orphine 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 Orphine?

CompoundList lists 2 suppliers of Orphine in Canada and China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Orphine?

Suppliers quote Orphine 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 Orphine

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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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