CAS 109384-19-2|tert-butyl 4-Hydroxypiperidine-1-carboxylate|tert-butyl 4-hydroxypiperidine-1-carboxylate|tert-butyl 4-hydroxypiperidine-1-carboxylate|1-BOC-4-hydroxypiperidine|tert-Butyl 4-hydroxyp...

基本信息

化学结构

分子式

C₁₀H₁₉NO₃

分子量

201.26276

精确质量

201.13649347

电荷

InChI

InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h8,12H,4-7H2,1-3H3

InChIKey

PWQLFIKTGRINFF-UHFFFAOYSA-N

Canonic Smiles

OC1CCN(CC1)C(=O)OC(C)(C)C

Isomeric Smiles

C1C(CCN(C1)C(=O)OC(C)(C)C)O

计算属性

JChem

Acid pKa

15.177349

质子受体

质子供体

LogD (pH = 5.5)

0.4083742

LogD (pH = 7.4)

0.40837416

Log P

0.4083742

摩尔折射率

53.4128

极化性

20.97339

极化表面积

49.77

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

tert-butyl 4-Hydroxypiperidine-1-carboxylate1-BOC-4-hydroxypiperidine1-(tert-Butoxycarbonyl)-4-hydroxypiperidine4-Hydroxypiperidine, N-BOC protected 98+%tert-Butyl 4-hydroxypiperidine-1-carboxylateN-Boc-4-Piperidinol1-叔丁氧羰基-4-羟基哌啶1-Boc-4-哌啶醇tert-Butyl 4-hydroxy-1-piperidinecarboxylateN-Boc-4-羟基哌啶1-Boc-4-羟基哌啶1-Boc-4-piperidinol1-Boc-4-hydroxypiperidineN-BOC-4-Hydroxypiperidine

IUPAC标准名

tert-butyl 4-hydroxypiperidine-1-carboxylate

IUPAC传统名

tert-butyl 4-hydroxypiperidine-1-carboxylate

名称和标识

数据登录号

MDL号

MFCD01075174

CAS号

109384-19-2

PubChem SID

2487336124872977160985684