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Screening compounds

IP 66

Also known as Piperazine, 1-(2-ethoxy-2-(3-pyridinyl)ethyl)-4-(2-methoxyphenyl)-, (+/-)-IP-66, 1-[2-ethoxy-2-(pyridin-3-yl)ethyl]-4-(2-methoxyphenyl)piperazine

CAS 58013-09-5Formula C20H27N3O2Molar mass 341.46 g/mol
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IP 66 chemical structure, C20H27N3O2, CAS 58013-09-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
58013-09-5
Formula
C20H27N3O2
Molar mass
341.46 g/mol
HS code
293359
Category
Screening compounds

What is IP 66?

Plain description, key identifiers and synonyms

IP 66 is a chemical substance with the molecular formula C20H27N3O2 and a molar mass of 341.46 g/mol. Its CAS registry number is 58013-09-5. The IUPAC name is 1-(2-ethoxy-2-pyridin-3-ylethyl)-4-(2-methoxyphenyl)piperazine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-(2-ethoxy-2-pyridin-3-ylethyl)-4-(2-methoxyphenyl)piperazine
CAS number
58013-09-5 CAS number cross-checked
Molecular formula
C20H27N3O2
InChIKey
FFKRVMYEUOOFBT-UHFFFAOYSA-N
InChI
InChI=1S/C20H27N3O2/c1-3-25-20(17-7-6-10-21-15-17)16-22-11-13-23(14-12-22)18-8-4-5-9-19(18)24-2/h4-10,15,20H,3,11-14,16H2,1-2H3
SMILES (canonical and isomeric)
CCOC(CN1CCN(CC1)C2=CC=CC=C2OC)C3=CN=CC=C3

Synonyms

  • Piperazine, 1-(2-ethoxy-2-(3-pyridinyl)ethyl)-4-(2-methoxyphenyl)-
  • (+/-)-IP-66
  • 1-[2-ethoxy-2-(pyridin-3-yl)ethyl]-4-(2-methoxyphenyl)piperazine
  • (+/-)-IP 66, (+/-)-IP66
  • 1-(2-Ethoxy-2-(3'-pyridyl)ethyl)-4-(2'-methoxyphenyl)piperazine
  • ()-IP-66
  • ()-IP 66, ()-IP66
  • 1-[2-Ethoxy-2-(3-pyridinyl)ethyl]-4-(2-methoxyphenyl)-piperazine

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
341.46 g/molcalc.
Exact mass
341.2103 Dacalc.
LogP (octanol/water)
2.99calc.
Topological polar surface area
37.83 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
7calc.
Heavy atoms
25calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.45calc.
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, c1ccc(N2CCN(CCc3cccnc3)CC2)cc1

c1ccc(N2CCN(CCc3cccnc3)CC2)cc1

3 rings, 20 atoms, the Piperazine, 1-phenyl-4-(2-(3-pyridyl)ethyl)- ring system.

20 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.

IP 66 suppliers

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IP 66 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 IP 66 is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

The HS code shown for IP 66 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about IP 66, based on the data on this page

What is IP 66?

IP 66 is a chemical substance with the molecular formula C20H27N3O2 and a molar mass of 341.46 g/mol. Its CAS registry number is 58013-09-5. The IUPAC name is 1-(2-ethoxy-2-pyridin-3-ylethyl)-4-(2-methoxyphenyl)piperazine.

What is the CAS number of IP 66?

The CAS registry number of IP 66 is 58013-09-5.

What is the molecular formula and weight of IP 66?

The molecular formula of IP 66 is C20H27N3O2 and its molar mass is 341.46 g/mol.

What is IP 66 used for?

Known uses and roles of IP 66 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is IP 66 hazardous?

No GHS hazard classification for IP 66 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 IP 66?

IP 66 is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy IP 66?

Post a free request on CompoundList and suppliers of IP 66 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of IP 66?

Suppliers quote IP 66 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 IP 66

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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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