1-Boc-2-benzyl-piperidin-4-one

C₁₇H₂₃NO₃CAS 193480-28-3289.37 g/mol

Open in Covalent MOL file

Carbamate Ketone

Properties

Molecular formula: C₁₇H₂₃NO₃
Molar mass: 289.37 g/mol
Exact mass: 289.1678 Da
logP: 3.20Crippen estimate
Polar surface area: 46.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

193480-28-3

SMILES

CC(C)(C)OC(=O)N1CCC(=O)CC1CC2=CC=CC=C2

InChIKey

LQBXEVOJCOQNTJ-UHFFFAOYSA-N

InChI

InChI=1S/C17H23NO3/c1-17(2,3)21-16(20)18-10-9-15(19)12-14(18)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3

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Names and synonyms

1 names

1-Boc-2-benzylpiperidin-4-one

Work with 1-Boc-2-benzyl-piperidin-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-Boc-2-phenyl-piperidin-4-one849928-30-967 % similar 1,1-Dimethylethyl (2S)-2-(phenylmethyl)-1-piperazinecarboxylate169447-86-365 % similar 1,1-Dimethylethyl 2-(phenylmethyl)-1-piperazinecarboxylate481038-63-565 % similar tert-Butyl 2-methyl-4-oxopiperidine-1-carboxylate190906-92-456 % similar 1-Piperidinecarboxylicacid,2-methyl-4-oxo-,1,1-dimethylethylester,(2R)-(9ci)790667-43-556 % similar 1-tert-Butyl 2-methyl 4-oxopiperidine-1,2-dicarboxylate81357-18-851 % similar tert-Butyl 3-Benzylpiperazine-1-carboxylate502649-29-851 % similar Boc-N-methyl-L-phenylalanine37553-65-449 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(-)-Atropine101-31-5 4-[(5,6-Dimethoxy-1-oxoindan-2-yl)methyl]piperidine120014-30-4 Lycoramine21133-52-8 Tetrahydropiperine23434-88-0 (±)-Atropine51-55-8

Elsewhere

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