1-Benzyl-3,3-dimethylpiperidin-4-one

C₁₄H₁₉NOCAS 173186-91-9217.31 g/mol

Open in Covalent MOL file

Ketone Tertiary amine

Properties

Molecular formula: C₁₄H₁₉NO
Molar mass: 217.31 g/mol
Exact mass: 217.1467 Da
logP: 2.49Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

173186-91-9

SMILES

CC1(C)CN(Cc2ccccc2)CCC1=O

InChIKey

YKQMBPQMCWGNDY-UHFFFAOYSA-N

InChI

InChI=1S/C14H19NO/c1-14(2)11-15(9-8-13(14)16)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3

Weigh it out

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

Names and synonyms

5 names

4-Piperidinone, 3,3-dimethyl-1-(phenylmethyl)-
3,3-Dimethyl-1-(phenylmethyl)-4-piperidinone
1-Benzyl-3,3-dimethyl-4-piperidone
1-Benzyl-3,3-dimethyl-4-oxopiperidine
N-Benzyl-3,3-dimethyl-4-piperidone

Work with 1-Benzyl-3,3-dimethylpiperidin-4-one

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-4-piperidone3612-20-253 % similar 1-(Phenylmethyl)-3-pyrrolidinone775-16-651 % similar 1-Benzyl-hexahydro-4H-azepin-4-one1208-75-948 % similar 1-Benzyl-3-methylpiperidin-4-one34737-89-847 % similar 1-Benzyl-3-piperidone40114-49-645 % similar 3-Amino-1-benzylpyrrolidine-3-carboxylic acid145602-87-545 % similar tert-Butyl 4-benzylpiperazine-1-carboxylate57260-70-545 % similar 1-Benzyl-4-methyl-1,2,3,6-tetrahydro-pyridine32018-56-743 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Methyl-1-(2-phenylethyl)piperidin-4-one129164-39-2 4-N-Heptyloxybenzonitrile29147-88-4 Ethoxyquin91-53-2

Elsewhere

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