chempirical

1-N-Boc-4-(phenylamino)piperidine

C16H24N2O2CAS 125541-22-2276.38 g/mol

Open in Covalent MOL file
OONNH
CarbamateSecondary amine

Properties

Molecular formula
C16H24N2O2
Molar mass
276.38 g/mol
Exact mass
276.1838 Da
logP
3.50Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
125541-22-2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)NC2=CC=CC=C2
InChIKey
HTIWISWAPVQGMI-UHFFFAOYSA-N
InChI
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-9-14(10-12-18)17-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3

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Names and synonyms

1 names
  • 1-Boc-4-AP

Work with 1-N-Boc-4-(phenylamino)piperidine

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

1,1-Dimethylethyl (3S)-3-(methylamino)-1-pyrrolidinecarboxylate147081-59-258 % similar 4-Hydroxypiperidine-1-carboxylic acid tert-butyl ester109384-19-252 % similar 1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate201162-53-052 % similar tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-752 % similar 4-[(1,1-Dimethylethoxy)carbonyl]-α-phenyl-1-piperazineacetic acid347186-49-651 % similar (S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester101469-92-550 % similar 3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester103057-44-950 % similar tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate109431-87-050 % similar

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

Same formula

(S)-tert-Butyl 3-(4-aminophenyl)piperidine-1-carboxylate1171197-20-8 (S)-(-)-1-Benzyl-3-(boc-amino)pyrrolidine131852-53-4 (3R)-(+)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine131878-23-4 1,1-Dimethylethyl (2S)-2-(phenylmethyl)-1-piperazinecarboxylate169447-86-3 1,1-Dimethylethyl 2-(phenylmethyl)-1-piperazinecarboxylate481038-63-5 (±)-Molindone7416-34-4

Elsewhere

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