CAS 125541-22-2|tert-butyl 4-(phenylamino)piperidine-1-carboxylate|tert-butyl 4-(phenylamino)piperidine-1-carboxylate|4-(Phenylamino)piperidine, N1-BOC protected 95%|tert-Butyl 4-anilinotetrahydro-1...

基本信息

化学结构

分子式

C₁₆H₂₄N₂O₂

分子量

276.37396

精确质量

276.18377802

电荷

InChI

InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-9-14(10-12-18)17-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3

InChIKey

HTIWISWAPVQGMI-UHFFFAOYSA-N

Canonic Smiles

O=C(N1CCC(CC1)Nc1ccccc1)OC(C)(C)C

Isomeric Smiles

C(=O)(N1CCC(Nc2ccccc2)CC1)OC(C)(C)C

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

2.3090744

LogD (pH = 7.4)

2.372109

Log P

2.372975

摩尔折射率

81.4033

极化性

31.055279

极化表面积

41.57

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

tert-butyl 4-(phenylamino)piperidine-1-carboxylate

IUPAC标准名

tert-butyl 4-(phenylamino)piperidine-1-carboxylate

别名

4-(Phenylamino)piperidine, N1-BOC protected 95%tert-Butyl 4-anilinotetrahydro-1(2H)-pyridinecarboxylatetert-butyl 4-(phenylamino)piperidine-1-carboxylatetert-Butyl 4-anilinotetrahydro-1(2H)-pyridinecarboxylate1-Boc-4-(Phenylamino)piperidine4-(Phenylamino)-1-piperidinecarboxylic Acid 1,1-Dimethylethyl EsterN-tert-Butoxycarbonyl-4-anilinopiperidine1-(tert-Butyloxycarbonyl)-4-(phenylamino)piperidine4-Phenylaminopiperidine-1-carboxylic Acid tert-Butyl Ester

名称和标识

数据登录号

CAS号

MDL号

PubChem SID

PubChem CID

数据登录号

化合物性质