CAS 39742-60-4|1-(2-phenylethyl)piperidin-4-one|N-phenethyl-4-piperidinone|1-(2-Phenethyl)piperidin-4-one|1-(β-PHENETHYL)-4-PIPERIDONE|<i>N</i>-Phenylethyl-4-piperidinone|N-Phenethyl-4-piperidi...

基本信息

化学结构

分子式

C₁₃H₁₇NO

分子量

203.28018

精确质量

203.13101417

电荷

InChI

InChI=1S/C13H17NO/c15-13-7-10-14(11-8-13)9-6-12-4-2-1-3-5-12/h1-5H,6-11H2

InChIKey

YDJXNYNKKXZBMP-UHFFFAOYSA-N

Canonic Smiles

O=C1CCN(CC1)CCc1ccccc1

Isomeric Smiles

N1(CCc2ccccc2)CCC(=O)CC1

计算属性

JChem

Acid pKa

17.836277

质子受体

质子供体

LogD (pH = 5.5)

0.6813907

LogD (pH = 7.4)

2.042063

Log P

2.1862671

摩尔折射率

61.8311

极化性

24.027908

极化表面积

20.31

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

N-phenethyl-4-piperidinone

IUPAC标准名

1-(2-phenylethyl)piperidin-4-one

别名

1-(2-Phenethyl)piperidin-4-one1-(β-PHENETHYL)-4-PIPERIDONEN-Phenylethyl-4-piperidinoneN-Phenethyl-4-piperidinone1-苯乙基-4-哌啶酮N-(2-苯乙基)-4-哌啶酮1-(2-Phenylethyl)-4-piperidone1-Phenethyl-4-piperidoneN-Phenethylpiperidin-4-oneN-(2-苯乙基)-4-哌啶酮1-Phenethyl-4-piperidone 1-(2-Phenethyl)-4-piperidinone HydrochlorideN-Phenethyl-4-piperidone1-(2-Phenylethyl)-4-piperidone1-Phenethyl-4-piperidone1-(2-phenylethyl)piperidin-4-one1-(2-苯基乙基)-4-哌啶酮

名称和标识

数据登录号

CAS号

39742-60-4

MDL号

MFCD00006193

PubChem CID

96437

维基百科标题

N-Phenethyl-4-piperidinone

Chemspider ID

87058