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-...

基本信息

化学结构

分子式

C₁₃H₁₈Cl₂F₄N₂

分子量

349.1950328

精确质量

348.07831683

电荷

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

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

-3.1640005

LogD (pH = 7.4)

-1.0071329

Log P

2.1959033

摩尔折射率

65.6525

极化性

24.484146

极化表面积

24.06

可自由旋转的化学键

里宾斯基五规则

true

数据来源

学术数据

产品目录

数据来源

名称和标识

别名

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传统名

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

IUPAC标准名

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

名称和标识

数据登录号

PubChem CID

53256974

PubChem SID

162105065

数据登录号

化合物性质