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

C₁₆H₂₄N₂O₂CAS 125541-22-2276.38 g/mol

Open in Covalent MOL file

Carbamate Secondary 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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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-Boc-4-(4-fluoro-phenylamino)-piperidine288573-56-876 % similar 1-Boc-4-(4-bromo-phenylamino)-piperidine443998-65-076 % similar 1-Boc-4-methylaminopiperidine147539-41-164 % similar 1,1-Dimethylethyl (3S)-3-(methylamino)-1-pyrrolidinecarboxylate147081-59-258 % similar 1-Pyrrolidinecarboxylicacid,3-(methylamino)-,1,1-dimethylethylester,(R)-(9ci)199336-83-958 % similar 1-Boc-3-methylaminopyrrolidine454712-26-658 % similar tert-Butyl 4-((pyridin-4-ylmethyl)amino)piperidine-1-carboxylate206274-24-057 % similar tert-Butyl 3-phenylpiperazine-1-carboxylate502649-25-453 % 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 4-P-Aminophenyl-1-boc-piperidine170011-57-1 1,1-Dimethylethyl 2-(phenylmethyl)-1-piperazinecarboxylate481038-63-5 tert-Butyl 3-Benzylpiperazine-1-carboxylate502649-29-8 tert-Butyl 4-benzylpiperazine-1-carboxylate57260-70-5

Elsewhere

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