CAS 918524-63-7|CAS 832114-09-7|1-methyl-4-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine|1-methyl-4-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine|2-(4-Methylpiper...

基本信息

化学结构

分子式

C₁₆H₂₆BN₃O₂

分子量

303.20754

精确质量

303.21180749

电荷

InChI

InChI=1S/C16H26BN3O2/c1-15(2)16(3,4)22-17(21-15)13-6-7-14(18-12-13)20-10-8-19(5)9-11-20/h6-7,12H,8-11H2,1-5H3

InChIKey

KVQXFNGVIIPCSX-UHFFFAOYSA-N

Canonic Smiles

CN1CCN(CC1)c1ccc(cn1)B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

n1cc(ccc1N1CCN(CC1)C)B1OC(C)(C)C(O1)(C)C

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

1.421104

LogD (pH = 7.4)

3.0418236

Log P

3.3528

摩尔折射率

84.3484

极化性

34.24668

极化表面积

37.83

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传统名

1-methyl-4-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine

IUPAC标准名

1-methyl-4-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine

别名

2-(4-Methylpiperazin-1-yl)pyridine-5-boronic acid, pinacol ester2-(4-METHYLPIPERAZIN-1-YL)PYRIDINE-5-BORONIC ACID PINACOL ESTER2-(4-Methylpiperazin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1-Methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine6-(4-Methylpiperazin-1-yl)pyridine-3-boronic acid, pinacol ester

名称和标识

数据登录号

CAS号

918524-63-7832114-09-7

PubChem CID

2769618

PubChem SID

162042815

MDL号

MFCD07437995

数据登录号

化合物性质