1-Benzyl-3-piperidone hydrochloride

C₁₂H₁₆ClNOCAS 50606-58-1225.72 g/mol

Open in Covalent MOL file

Ketone Tertiary amine

Properties

Molecular formula: C₁₂H₁₆ClNO
Molar mass: 225.72 g/mol
Exact mass: 225.0920 Da
Melting point: 168–170 °C
logP: 2.27Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed75% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

50606-58-1

SMILES

Cl.O=C1CCCN(Cc2ccccc2)C1

InChIKey

OVWSFXNSJDMRPV-UHFFFAOYSA-N

InChI

InChI=1S/C12H15NO.ClH/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11;/h1-3,5-6H,4,7-10H2;1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

3-Piperidinone, 1-(phenylmethyl)-, hydrochloride (1:1)
3-Piperidinone, 1-(phenylmethyl)-, hydrochloride
1-Benzyl-3-piperidinone hydrochloride
N-Benzyl-3-piperidinone hydrochloride
N-Benzyl-3-piperidone hydrochloride
N-Benzylpiperidine-3-one hydrochloride
Monohydrochloride 1-benzylpiperidin-3-one
1-Benzylpiperidin-3-one monohydrochloride

Work with 1-Benzyl-3-piperidone hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(Phenylmethyl)-3-pyrrolidinone775-16-673 % similar 1-Benzyl-hexahydro-4H-azepin-4-one1208-75-971 % similar 1-Benzyl-4-piperidone3612-20-260 % similar 1-Benzylpiperidine2905-56-850 % similar 1-Benzyl-2-pyrrolidinone5291-77-049 % similar Benzyl 3-oxopiperidine-1-carboxylate61995-20-848 % similar N-Benzylbis(2-chloroethyl)amine hydrochloride10429-82-047 % similar 4-Benzylpiperazine hydrochloride110475-31-547 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Benzyl-2-(chloromethyl)morpholine40987-25-5 2-Chloro-N-(2,6-diethylphenyl)acetamide6967-29-9

Elsewhere

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