Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride
Properties
- Molecular formula
- C15H20ClNO3
- Molar mass
- 297.78 g/mol
- Exact mass
- 297.1132 Da
- Melting point
- 162–165 °C
- logP
- 2.06Crippen estimate
- Polar surface area
- 46.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation98.1% of notifiers
Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
52763-21-0SMILES
CCOC(=O)C1CCN(Cc2ccccc2)CC1=O.ClInChIKey
UQOMEAWPKSISII-UHFFFAOYSA-NInChI
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;1HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- 4-Piperidinecarboxylic acid, 3-oxo-1-(phenylmethyl)-, ethyl ester, hydrochloride (1:1)
- 4-Piperidinecarboxylic acid, 3-oxo-1-(phenylmethyl)-, ethyl ester, hydrochloride
- 1-Benzyl-4-carbethoxy-3-oxopiperidine hydrochloride
- Ethyl N-benzyl-3-oxo-4-piperidinecarboxylate hydrochloride
- N-Benzyl-4-carbethoxy-3-piperidone hydrochloride
- NSC 117336
- Ethyl 3-oxo-N-benzylpiperidine-4-carboxylate hydrochloride
- 1-Benzyl-3-oxopiperidine-4-carboxylic acid ethyl ester hydrochloride
- 1-Benzyl-3-oxopiperidine-4-carboxylic acid ethyl ester monohydrochloride
- Ethyl N-benzyl-3-oxo-4-piperidincarboxylate hydrochloride
- 1-Benzyl-4-(ethoxycarbonyl)-3-oxopiperidin-1-ium chloride
Work with Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate1027-35-674 % similar
Ethyl 1-(phenylmethyl)-4-piperidinecarboxylate24228-40-865 % similar
Ethyl 1-benzylpyrrolidine-3-carboxylate5747-92-262 % similar
Ethyl 1-benzylpiperidine-3-carboxylate72551-53-257 % similar
1,3-Diethyl 2-(2-phenylethyl)propanedioate6628-68-855 % similar
Ethyl 1,4-dibenzylpiperazine-2-carboxylate72351-59-854 % similar
Ethyl N-cbz-4-oxopyrrolidine-3-carboxylate51814-19-854 % similar
1,3-Diethyl 2-(phenylmethyl)propanedioate607-81-853 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.