1-Benzyl-4-piperidone

C₁₂H₁₅NOCAS 3612-20-2189.26 g/mol

Open in Covalent MOL file

Ketone Tertiary amine

Properties

Molecular formula: C₁₂H₁₅NO
Molar mass: 189.26 g/mol
Exact mass: 189.1154 Da
Density: 1.0626 g/mL (at 23 °C)
Boiling point: 114–116 °C (at 0.3 Torr)
logP: 1.85Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed46.4% of notifiers
H315 Causes skin irritation56% of notifiers
H317 May cause an allergic skin reaction45.2% of notifiers
H319 Causes serious eye irritation56% of notifiers
H335 May cause respiratory irritation53.6% of notifiers

Aggregated from 84 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3612-20-2

SMILES

O=C1CCN(Cc2ccccc2)CC1

InChIKey

SJZKULRDWHPHGG-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

16 names · show all

4-Piperidinone, 1-(phenylmethyl)-
4-Piperidone, 1-benzyl-
1-(Phenylmethyl)-4-piperidinone
N-Benzylpiperidinone
1-Benzyl-4-oxopiperidine
1-Benzyl-4-piperidinone
N-Benzyl-4-piperidone
1-Benzylpiperidone
N-Benzyl-4-piperidinone
N-Benzylpiperidone
N-Benzyl-4-oxopiperidine
1-(Phenylmethyl)-4-piperidone
NSC 77933
1-Benzylpiperidine-4-one
4-N-Benzylpiperidone
1-Benzylpiperidin-4-one

Work with 1-Benzyl-4-piperidone

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-Benzyl-hexahydro-4H-azepin-4-one1208-75-986 % similar 1-(Phenylmethyl)-3-pyrrolidinone775-16-682 % similar N-Phenethyl-4-piperidinone39742-60-472 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-562 % similar 1-Benzyl-3-piperidone hydrochloride hydrate50606-58-160 % similar 1-Benzylpiperidine2905-56-855 % similar 1-Benzoyl-4-piperidone24686-78-055 % similar Tribenzylamine620-40-654 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(Piperidin-1-yl)benzaldehyde10338-57-5 2-(Piperidin-1-yl)benzaldehyde34595-26-1 4-Butoxyphenylacetonitrile38746-93-9 1-Benzyl-3-piperidone40114-49-6 8-Hydroxyjulolidine41175-50-2 7-Ethyl-1H-indole-3-ethanol41340-36-7 Benzoylpiperidine776-75-0

Elsewhere

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