2-{[1-tert-Butoxycarbonyl)piperidin-4-yl]amino}-4-methylaniline|tert-butyl 4-[(2-amino-5-methylphenyl)amino]piperidine-1-carboxylate|tert-Butyl 4-[(2-amino-5-methylphenyl)amino]piperidine-1-carboxyl...

基本信息

化学结构

分子式

C₁₇H₂₇N₃O₂

分子量

305.41518

精确质量

305.21032712

电荷

InChI

InChI=1S/C17H27N3O2/c1-12-5-6-14(18)15(11-12)19-13-7-9-20(10-8-13)16(21)22-17(2,3)4/h5-6,11,13,19H,7-10,18H2,1-4H3

InChIKey

XCYREHXTZGVYLL-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc(c(c1)NC1CCN(CC1)C(=O)OC(C)(C)C)N

Isomeric Smiles

C(=O)(N1CCC(Nc2cc(ccc2N)C)CC1)OC(C)(C)C

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

1.9259971

LogD (pH = 7.4)

2.055541

Log P

2.0574706

摩尔折射率

91.1449

极化性

33.960453

极化表面积

67.59

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

别名

2-{[1-tert-Butoxycarbonyl)piperidin-4-yl]amino}-4-methylanilinetert-Butyl 4-[(2-amino-5-methylphenyl)amino]piperidine-1-carboxylate4-[(2-Amino-5-methylphenyl)amino]piperidine, N1-BOC protected 95+%tert-Butyl 4-[(2-amino-5-methylphenyl)amino]-piperidine-1-carboxylatetert-butyl 4-[(2-amino-5-methylphenyl)amino]piperidine-1-carboxylate

IUPAC传统名

tert-butyl 4-[(2-amino-5-methylphenyl)amino]piperidine-1-carboxylate

IUPAC标准名

tert-butyl 4-[(2-amino-5-methylphenyl)amino]piperidine-1-carboxylate

名称和标识

数据登录号

MDL号

MFCD17167310

PubChem SID

162058226

PubChem CID

51000246