CAS 4644-61-5|ethyl 4-oxopiperidine-3-carboxylate hydrochloride|ethyl 4-oxopiperidine-3-carboxylate hydrochloride|3-CARBETHOXY-4-PIPERIDONE HYDROCHLORIDE|Ethyl 4-piperidone-3-carboxylate hydrochlori...

General Information

Structure

Molecular Formula

C₈H₁₄ClNO₃

Molecular Mass

207.65466

Exact Mass

207.06622099

Charge

InChI

InChI=1S/C8H13NO3.ClH/c1-2-12-8(11)6-5-9-4-3-7(6)10;/h6,9H,2-5H2,1H3;1H

InChIKey

RTYXWLMQWSFXNI-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)C1CNCCC1=O.Cl

Isomeric Smiles

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

Calculated Properties

JChem

Acid pKa

10.121007

H Acceptors

H Donor

LogD (pH = 5.5)

-1.5515625

LogD (pH = 7.4)

-0.15500037

Log P

0.027465742

Molar Refractivity

42.9782

Polarizability

17.146952

Polar Surface Area

55.4

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

ethyl 4-oxopiperidine-3-carboxylate hydrochloride

IUPAC name

ethyl 4-oxopiperidine-3-carboxylate hydrochloride

Synonyms

3-CARBETHOXY-4-PIPERIDONE HYDROCHLORIDEEthyl 4-piperidone-3-carboxylate hydrochlorideEthyl 4-piperidone-3-carboxylate hydrochloride3-Carboethoxy-4-piperidone hydrochloride4-哌啶酮-3-甲酸乙酯.盐酸盐Ethyl 4-oxo-piperidine-3-carboxylate hydrochloride4-Oxo-piperidine-3-carboxylic acid ethyl ester hydrochloride

Names and Identifiers

Registration numbers

CAS Number

MDL Number

EC Number

Beilstein Number

PubChem SID