chempirical

1-Boc-2-phenyl-piperidin-4-one

C16H21NO3CAS 849928-30-9275.35 g/mol

Open in Covalent MOL file
OONO
CarbamateKetone

Properties

Molecular formula
C16H21NO3
Molar mass
275.35 g/mol
Exact mass
275.1521 Da
logP
3.33Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
849928-30-9
SMILES
CC(C)(C)OC(=O)N1CCC(=O)CC1C2=CC=CC=C2
InChIKey
UMUHNUZMXNXCMV-UHFFFAOYSA-N
InChI
InChI=1S/C16H21NO3/c1-16(2,3)20-15(19)17-10-9-13(18)11-14(17)12-7-5-4-6-8-12/h4-8,14H,9-11H2,1-3H3

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Work with 1-Boc-2-phenyl-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-benzyl-piperidin-4-one193480-28-367 % similar tert-Butyl 2-methyl-4-oxopiperidine-1-carboxylate190906-92-459 % similar 1-Piperidinecarboxylicacid,2-methyl-4-oxo-,1,1-dimethylethylester,(2R)-(9ci)790667-43-559 % similar 1-tert-Butyl 2-methyl 4-oxopiperidine-1,2-dicarboxylate81357-18-853 % similar tert-Butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate112741-49-850 % similar 1,1-Dimethylethyl (2S,3R)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate112741-50-150 % similar tert-Butyl 3-phenylpiperazine-1-carboxylate502649-25-448 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-347 % similar

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

Same formula

Rolipram61413-54-5 (±)-Homatropine87-00-3

Elsewhere

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