CAS 52763-21-0|ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride|ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride|Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride|1-Benz...

基本信息

化学结构

分子式

C₁₅H₂₀ClNO₃

分子量

297.7772

精确质量

297.11317119

电荷

InChI

InChI=1S/C15H19NO3.ClH/c1-2-19-15(18)13-8-9-16(11-14(13)17)10-12-6-4-3-5-7-12;/h3-7,13H,2,8-11H2,1H3;1H

InChIKey

UQOMEAWPKSISII-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)C1CCN(CC1=O)Cc1ccccc1.Cl

Isomeric Smiles

N1(CC(=O)C(CC1)C(=O)OCC)Cc1ccccc1.Cl

计算属性

JChem

Acid pKa

10.185337

质子受体

质子供体

LogD (pH = 5.5)

2.0831096

LogD (pH = 7.4)

2.1843677

Log P

2.1866353

摩尔折射率

72.9411

极化性

28.534418

极化表面积

46.61

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

ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride

IUPAC传统名

ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride

别名

Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride1-Benzyl-4-(ethoxycarbonyl)-3-oxopiperidine hydrochloride, {[4-(Ethoxycarbonyl)-3-oxopiperidin-1-yl]methyl}benzene hydrochlorideEthyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride 98+%Ethyl 1-benzyl-3-oxo-4-piperidinecarboxylate hydrochloride1-苄基-4-乙氧基羰基-3-哌啶酮盐酸盐1-Benzyl-4-ethoxycarbonyl-3-piperidone hydrochlorideN-苄基-3-氧代哌啶-4-羧酸乙酯盐酸盐Ethyl N-benzyl-3-piperidone-4-carboxylate hydrochloride

名称和标识

数据登录号

CAS号

PubChem SID

MDL号

Beilstein号

EC号