CAS 56621-48-8|1-(4-Hydroxyphenyl)piperazine|4-(piperazin-1-yl)phenol|4-(piperazin-1-yl)phenol|1-(4-Hydroxyphenyl)piperazine 98%|4-(Piperazin-1-yl)phenol|1-对羟基苯基哌嗪|4-Piperazinophenol|1-(4-Hyd...

基本信息

化学结构

分子式

C₁₀H₁₄N₂O

分子量

178.23096

精确质量

178.11061308

电荷

InChI

InChI=1S/C10H14N2O/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2

InChIKey

GPEOAEVZTOQXLG-UHFFFAOYSA-N

Canonic Smiles

Oc1ccc(cc1)N1CCNCC1

Isomeric Smiles

N1(CCNCC1)c1ccc(cc1)O

计算属性

JChem

Acid pKa

10.3171215

质子受体

质子供体

LogD (pH = 5.5)

-1.7720954

LogD (pH = 7.4)

-0.26652226

Log P

1.0325403

摩尔折射率

53.2229

极化性

20.234575

极化表面积

35.5

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

别名

1-(4-Hydroxyphenyl)piperazine4-(Piperazin-1-yl)phenol1-(4-Hydroxyphenyl)piperazine 98%1-对羟基苯基哌嗪4-Piperazinophenol1-(4-Hydroxyphenyl)piperazine4-(1-哌嗪基)苯酚4-(1-Piperazinyl)phenol4-1-哌嗪苯酚4-(1-Piperazino)phenol1-(4-Hydroxyphenyl)piperazine

IUPAC传统名

4-(piperazin-1-yl)phenol

IUPAC标准名

4-(piperazin-1-yl)phenol

名称和标识

数据登录号

CAS号

56621-48-8

MDL号

MFCD00066156

PubChem CID

92467