CAS 67914-60-7|1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone|1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethan-1-one|1-Acetyl-4-(4-hydroxyphenyl)piperazine|1-Acetyl-4-(4-hydroxyphenyl)piperazine|1-[4-(4-Hy...

基本信息

化学结构

分子式

C₁₂H₁₆N₂O₂

分子量

220.26764

精确质量

220.12117776

电荷

InChI

InChI=1S/C12H16N2O2/c1-10(15)13-6-8-14(9-7-13)11-2-4-12(16)5-3-11/h2-5,16H,6-9H2,1H3

InChIKey

AGVNLFCRZULMKK-UHFFFAOYSA-N

Canonic Smiles

CC(=O)N1CCN(CC1)c1ccc(cc1)O

Isomeric Smiles

N1(C(=O)C)CCN(c2ccc(cc2)O)CC1

计算属性

JChem

Acid pKa

10.298346

质子受体

质子供体

LogD (pH = 5.5)

0.8220051

LogD (pH = 7.4)

0.850779

Log P

0.8517383

摩尔折射率

62.7888

极化性

23.604305

极化表面积

43.78

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传统名

1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone

别名

1-Acetyl-4-(4-hydroxyphenyl)piperazine1-Acetyl-4-(4-hydroxyphenyl)piperazine1-[4-(4-Hydroxyphenyl)piperazino]ethan-1-one1-乙酰基-4-(4-羟基苯基)哌嗪1-Acetyl-4-(4-hydroxyphenyl)piperazine1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethan-1-one1-Acetyl-4-(p-hydroxyphenyl)piperazine4-(4-Acetylpiperazino)phenol1-[4-(4-Hydroxyphenyl)-1-piperazinyl]ethanone1-(4-(4-hydroxyphenyl)piperazin-1-yl)ethanone4-(4-Acetyl-1-piperazinyl)phenol1-乙酰-4-(4-羟基苯基)哌嗪

IUPAC标准名

1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethan-1-one

名称和标识

数据登录号

Beilstein号

CAS号

EC号

PubChem CID