3-Fluoro-N-(piperidin-4-yl)-4-(trifluoromethyl)benzylamine dihydrochloride|2-Fluoro-4-{[(piperidin-4-yl)amino]methyl}benzotrifluoride dihydrochloride|N-[3-Fluoro-4-(trifluoromethyl)benzyl]piperidin-...

General Information

Structure

Molecular Formula

C₁₃H₁₈Cl₂F₄N₂

Molecular Mass

349.1950328

Exact Mass

348.07831683

Charge

InChI

InChI=1S/C13H16F4N2.2ClH/c14-12-7-9(1-2-11(12)13(15,16)17)8-19-10-3-5-18-6-4-10;;/h1-2,7,10,18-19H,3-6,8H2;2*1H

InChIKey

FNIYWIAELWYYBX-UHFFFAOYSA-N

Canonic Smiles

Fc1cc(CNC2CCNCC2)ccc1C(F)(F)F.Cl.Cl

Isomeric Smiles

N1CCC(CC1)NCc1cc(c(cc1)C(F)(F)F)F.Cl.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-3.1640005

LogD (pH = 7.4)

-1.0071329

Log P

2.1959033

Molar Refractivity

65.6525

Polarizability

24.484146

Polar Surface Area

24.06

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

2-Fluoro-4-{[(piperidin-4-yl)amino]methyl}benzotrifluoride dihydrochloride3-Fluoro-N-(piperidin-4-yl)-4-(trifluoromethyl)benzylamine dihydrochlorideN-[3-Fluoro-4-(trifluoromethyl)benzyl]piperidin-4-amine dihydrochloride4-{[3-Fluoro-4-(trifluoromethyl)benzyl]amino}piperidine dihydrochloride

IUPAC Traditional name

N-{[3-fluoro-4-(trifluoromethyl)phenyl]methyl}piperidin-4-amine dihydrochloride

IUPAC name

N-{[3-fluoro-4-(trifluoromethyl)phenyl]methyl}piperidin-4-amine dihydrochloride

Names and Identifiers

Registration numbers

PubChem CID

53256974

PubChem SID

162105065

Registration numbers

Properties