CAS 71486-53-8|methyl 4-oxopiperidine-3-carboxylate hydrochloride|methyl 4-oxopiperidine-3-carboxylate hydrochloride|Methyl 4-oxo-3-piperidinecarboxylate hydrochloride|3-(Methoxycarbonyl)piperidin-4...

General Information

Structure

Molecular Formula

C₇H₁₂ClNO₃

Molecular Mass

193.62808

Exact Mass

193.05057093

Charge

InChI

InChI=1S/C7H11NO3.ClH/c1-11-7(10)5-4-8-3-2-6(5)9;/h5,8H,2-4H2,1H3;1H

InChIKey

NMAACQILAGCQPR-UHFFFAOYSA-N

Canonic Smiles

COC(=O)C1CNCCC1=O.Cl

Isomeric Smiles

N1CC(C(=O)CC1)C(=O)OC.Cl

Calculated Properties

JChem

Acid pKa

10.545738

H Acceptors

H Donor

LogD (pH = 5.5)

-1.6759211

LogD (pH = 7.4)

-0.3249138

Log P

-0.32934222

Molar Refractivity

38.2296

Polarizability

15.320761

Polar Surface Area

55.4

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

Methyl 4-oxo-3-piperidinecarboxylate hydrochlorideMethyl 4-oxopiperidine-3-carboxylate hydrochloride3-(Methoxycarbonyl)piperidin-4-one hydrochlorideMethyl 4-oxo-3-piperidinecarboxylate hydrochloride3-Methoxycarbonyl-4-piperidone hydrochloride4-氧代-3-哌啶羧酸甲酯盐酸盐3-甲氧羰基-4-哌啶酮盐酸盐4-氧代哌啶-3-羰酸甲酯盐酸盐Methyl 4-oxopiperidine-3-carboxylate hydrochloride4-Oxopiperidine-3-carboxylic acid methyl ester hydrochloride

IUPAC Traditional name

methyl 4-oxopiperidine-3-carboxylate hydrochloride

IUPAC name

methyl 4-oxopiperidine-3-carboxylate hydrochloride

Names and Identifiers

Registration numbers

CAS Number

71486-53-8

EC Number

275-526-9

Beilstein Number

4273241