CAS 52763-21-0|Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride|ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride|ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride|1-Benz...

General Information

Structure

Molecular Formula

C₁₅H₂₀ClNO₃

Molecular Mass

297.7772

Exact Mass

297.11317119

Charge

InChI

InChI=1S/C15H19NO3.ClH/c1-2-19-15(18)13-8-9-16(11-14(13)17)10-12-6-4-3-5-7-12;/h3-7,13H,2,8-11H2,1H3;1H

InChIKey

UQOMEAWPKSISII-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)C1CCN(CC1=O)Cc1ccccc1.Cl

Isomeric Smiles

N1(CC(=O)C(CC1)C(=O)OCC)Cc1ccccc1.Cl

Calculated Properties

JChem

Acid pKa

10.185337

H Acceptors

H Donor

LogD (pH = 5.5)

2.0831096

LogD (pH = 7.4)

2.1843677

Log P

2.1866353

Molar Refractivity

72.9411

Polarizability

28.534418

Polar Surface Area

46.61

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride

IUPAC Traditional name

ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride

Synonyms

Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride1-Benzyl-4-(ethoxycarbonyl)-3-oxopiperidine hydrochloride, {[4-(Ethoxycarbonyl)-3-oxopiperidin-1-yl]methyl}benzene hydrochlorideEthyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride 98+%Ethyl 1-benzyl-3-oxo-4-piperidinecarboxylate hydrochloride1-苄基-4-乙氧基羰基-3-哌啶酮盐酸盐1-Benzyl-4-ethoxycarbonyl-3-piperidone hydrochlorideN-苄基-3-氧代哌啶-4-羧酸乙酯盐酸盐Ethyl N-benzyl-3-piperidone-4-carboxylate hydrochloride

Names and Identifiers

Registration numbers

CAS Number

PubChem SID

MDL Number

Beilstein Number

EC Number