CAS 852228-08-1|2-(piperidin-1-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine|1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidine|2-(piperidin-1-yl)-5-(tetramethyl-1,3,2-d...

基本信息

化学结构

分子式

C₁₆H₂₅BN₂O₂

分子量

288.1929

精确质量

288.20090845

电荷

InChI

InChI=1S/C16H25BN2O2/c1-15(2)16(3,4)21-17(20-15)13-8-9-14(18-12-13)19-10-6-5-7-11-19/h8-9,12H,5-7,10-11H2,1-4H3

InChIKey

MLJZIQHWAUYAPA-UHFFFAOYSA-N

Canonic Smiles

CC1(C)OB(OC1(C)C)c1ccc(nc1)N1CCCCC1

Isomeric Smiles

n1cc(ccc1N1CCCCC1)B1OC(C)(C)C(O1)(C)C

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

4.081984

LogD (pH = 7.4)

4.2703567

Log P

4.2734

摩尔折射率

80.4403

极化性

32.72053

极化表面积

34.59

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

IUPAC标准名

2-(piperidin-1-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

IUPAC传统名

2-(piperidin-1-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

别名

1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidine6-(哌啶-1-基)吡啶-3-硼酸频哪醇酯2-(哌啶-1-基)吡啶-5-硼酸频哪醇酯2-(Piperidin-1-yl)pyridine-5-boronic acid pinacol ester6-(Piperidin-1-yl)pyridine-3-boronic acid pinacol ester6-(Piperidin-1-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine2-(PIPERIDIN-1-YL)PYRIDINE-5-BORONIC ACID PINACOL ESTER6-(Piperidin-1-yl)pyridine-3-boronic acid, pinacol 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