CAS 6138-79-0|CAS 550-70-9|2-[1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl]pyridine hydrochloride|2-[1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl]pyridine hydrochloride|trans-2-[3-(1...

General Information

Structure

Molecular Formula

C₁₉H₂₃ClN₂

Molecular Mass

314.85232

Exact Mass

314.15497643

Charge

InChI

InChI=1S/C19H22N2.ClH/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21;/h2-3,6-12H,4-5,13-15H2,1H3;1H

InChIKey

WYUYEJNGHIOFOC-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc(cc1)/C(=C/CN1CCCC1)/c1ccccn1.Cl

Isomeric Smiles

Cl.Cc1ccc(cc1)/C(=C/CN1CCCC1)/c1ncccc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.0643152

LogD (pH = 7.4)

2.7876499

Log P

4.0451536

Molar Refractivity

98.5253

Polarizability

34.387333

Polar Surface Area

16.13

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

2-[1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl]pyridine hydrochloride 2-[(1Z)-1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl]pyridine hydrochloride

IUPAC Traditional name

2-[1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl]pyridine hydrochloride 2-[(1Z)-1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl]pyridine hydrochloride

Synonyms

trans-2-[3-(1-Pyrrolidinyl)-1-p-tolylpropenyl]pyridineTRIPROLIDINE HYDROCHLORIDEActidilonPro-EntraActidilPro-ActidilTriprolidine Hydrochloride

Names and Identifiers

Registration numbers

CAS Number

6138-79-0550-70-9

PubChem CID

21196452

PubChem SID

162091938

Registration numbers

Properties