CAS 142851-03-4|Ethyl 1-Boc-piperidine-4-carboxylate|1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate|1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate|Ethyl 1-(tert-butoxycarbonyl)-4-piperidinecar...

基本信息

化学结构

分子式

C₁₃H₂₃NO₄

分子量

257.32602

精确质量

257.16270822

电荷

InChI

InChI=1S/C13H23NO4/c1-5-17-11(15)10-6-8-14(9-7-10)12(16)18-13(2,3)4/h10H,5-9H2,1-4H3

InChIKey

MYHJCTUTPIKNAT-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)C1CCN(CC1)C(=O)OC(C)(C)C

Isomeric Smiles

C(=O)(N1CCC(C(=O)OCC)CC1)OC(C)(C)C

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

1.6661272

LogD (pH = 7.4)

1.6661272

Log P

1.6661272

摩尔折射率

67.5881

极化性

26.655312

极化表面积

55.84

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-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate

别名

Ethyl 1-Boc-piperidine-4-carboxylatePiperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl esterEthyl 1-(tert-Butyloxycarbonyl)isonipecotateEthyl N-Boc-piperidine-4-carboxylateEthyl 1-(tert-butoxycarbonyl)-4-piperidinecarboxylateN-Boc-4-哌啶甲酸乙酯哌啶-1,4-二羧酸 1-叔丁基酯 4-乙酯1-叔丁氧羰基-4-哌啶甲酸乙酯1-tert-Butyl 4-ethyl piperidine-1,4-dicarboxylate 95+%1-(tert-Butoxycarbonyl)-4-(ethoxycarbonyl)piperidineEthyl N-Boc-piperidine-4-carboxylate1-Boc-异哌啶酸乙酯Ethyl N-Boc-piperidine-4-carboxylate1-Boc-isonipecotic acid ethyl ester1-tert-Butyl 4-ethyl piperidine-1,4-dicarboxylate1-(tert-butyl) 4-ethyl tetrahydro-1,4(2H)-pyridinedicarboxylate

IUPAC标准名

1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate

名称和标识

数据登录号

CAS号

PubChem SID

MDL号

PubChem CID