CAS 25519-78-2|4-(4-fluorobenzoyl)piperidine hydrochloride|4-(4-Fluorobenzoyl)piperidine hydrochloride|4-(4-fluorobenzoyl)piperidine hydrochloride|p-Fluorophenyl 4-Piperidinyl Ketone Hydrochloride|(...

基本信息

化学结构

分子式

C₁₂H₁₅ClFNO

分子量

243.7050032

精确质量

243.08262001

电荷

InChI

InChI=1S/C12H14FNO.ClH/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10;/h1-4,10,14H,5-8H2;1H

InChIKey

GPKDBZQZPNOBGM-UHFFFAOYSA-N

Canonic Smiles

O=C(c1ccc(cc1)F)C1CCNCC1.Cl

Isomeric Smiles

c1c(ccc(c1)C(=O)C1CCNCC1)F.Cl

计算属性

JChem

Acid pKa

16.647728

质子受体

质子供体

LogD (pH = 5.5)

-1.4448847

LogD (pH = 7.4)

-0.79010445

Log P

1.7771732

摩尔折射率

57.1088

极化性

21.88143

极化表面积

29.1

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

IUPAC标准名

4-(4-fluorobenzoyl)piperidine hydrochloride

别名

4-(4-Fluorobenzoyl)piperidine hydrochloridep-Fluorophenyl 4-Piperidinyl Ketone Hydrochloride(4-Fluorophenyl)(piperidin-4-yl)methanone hydrochloridep-Fluorophenyl 4-piperidylketone Hydrochloride4-Fluorophenyl 4-piperidinyl Ketone Hydrochloride4-(p-Fluorobenzoyl)piperidine hydrochloride(4-fluorophenyl)-4-piperidinylmethanone Hydrochloride4-(4-Fluorobenzoyl)piperidine hydrochloride 97%4-(4-Fluorobenzoyl)piperidine hydrochloride4-4-氟苯甲酰哌啶盐酸盐

IUPAC传统名

4-(4-fluorobenzoyl)piperidine hydrochloride

名称和标识

数据登录号

CAS号

MDL号

EC号

PubChem SID