CAS 12443-68-1|CAS 124443-68-1|1-tert-butyl 4-methyl piperidine-1,4-dicarboxylate|1-(tert-Butyl) 4-methyl piperidine-1,4-dicarboxylate|1-tert-butyl 4-methyl piperidine-1,4-dicarboxylate|Methyl piper...

基本信息

化学结构

分子式

C₁₂H₂₁NO₄

分子量

243.29944

精确质量

243.14705816

电荷

InChI

InChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-7-5-9(6-8-13)10(14)16-4/h9H,5-8H2,1-4H3

InChIKey

PTZNCCIULVXFIJ-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

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

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

1.3093193

LogD (pH = 7.4)

1.3093193

Log P

1.3093193

摩尔折射率

62.8395

极化性

24.824814

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

产品目录

学术数据

数据来源

名称和标识

IUPAC标准名

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

别名

1-(tert-Butyl) 4-methyl piperidine-1,4-dicarboxylateMethyl piperidine-4-carboxylate, N-BOC protected1-(tert-Butyl) 4-methyl tetrahydro-1,4(2H)-pyridinedicarboxylate1-N-Boc-4-piperidinecarboxylic acid methyl esterN-BOC-PIPERIDINE-4-CARBOXYLIC ACID METHYL ESTER1-tert-Butyl 4-methyl piperidine-1,4-dicarboxylate

IUPAC传统名

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

名称和标识

数据登录号

CAS号

12443-68-1124443-68-1

MDL号

MFCD02183584

PubChem CID

392870

PubChem SID

160998247