CAS 37663-44-8|Spiro[isobenzofuran-1(3H),4'-piperidine] Hydrochloride |1,3-Dihydrospiro[isobenzofuran-1,4'-piperidine] Hydrochloride|Spiro[phthalan-1,4'-piperidine] Hydrochloride|3H-spiro[2-benzofur...

基本信息

化学结构

分子式

C₁₂H₁₆ClNO

分子量

225.71454

精确质量

225.09204182

电荷

InChI

InChI=1S/C12H15NO.ClH/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12;/h1-4,13H,5-9H2;1H

InChIKey

SFQFBDOOIIHNMY-UHFFFAOYSA-N

Canonic Smiles

N1CCC2(CC1)OCc1c2cccc1.Cl

Isomeric Smiles

C12(OCc3c1cccc3)CCNCC2.Cl

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

-2.026749

LogD (pH = 7.4)

-1.068532

Log P

1.1677767

摩尔折射率

56.2257

极化性

22.137045

极化表面积

21.26

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

别名

Spiro[isobenzofuran-1(3H),4'-piperidine] Hydrochloride Spiro[phthalan-1,4'-piperidine] Hydrochloride1,3-Dihydrospiro[isobenzofuran-1,4'-piperidine] Hydrochloride4-Spiro-[1-phthalan]piperidine hydrochloride3H-spiro[2-benzofuran-1,4'-piperidine] hydrochloride3H-Spiro[isobenzofuran-1,4'-piperidine] hydrochloride

IUPAC标准名

3H-spiro[2-benzofuran-1,4'-piperidine] hydrochloride

IUPAC传统名

3H-spiro[2-benzofuran-1,4'-piperidine] hydrochloride

名称和标识

数据登录号

MDL号

MFCD02179146

CAS号

37663-44-8

PubChem CID

22509330