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

C₁₆H₂₃BrN₂O₂CAS 443998-65-0355.28 g/mol

Open in Covalent MOL file

Aryl halide Carbamate Secondary amine

Properties

Molecular formula: C₁₆H₂₃BrN₂O₂
Molar mass: 355.28 g/mol
Exact mass: 354.0943 Da
logP: 4.26Crippen 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

443998-65-0

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NC2=CC=C(C=C2)Br

InChIKey

ZDCRNXMZSKCKRF-UHFFFAOYSA-N

InChI

InChI=1S/C16H23BrN2O2/c1-16(2,3)21-15(20)19-10-8-14(9-11-19)18-13-6-4-12(17)5-7-13/h4-7,14,18H,8-11H2,1-3H3

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Names and synonyms

1 names

tert-Butyl 4-((4-bromophenyl)amino)piperidine-1-carboxylate

Work with 1-Boc-4-(4-bromo-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-N-Boc-4-(phenylamino)piperidine125541-22-276 % similar 1-Boc-4-(4-fluoro-phenylamino)-piperidine288573-56-874 % similar tert-Butyl 4-(4-bromophenyl)piperazine-1-carboxylate352437-09-360 % similar 1-Boc-4-methylaminopiperidine147539-41-160 % similar tert-Butyl (S)-3-(4-bromophenyl)piperidine-1-carboxylate1476776-55-257 % similar 1,1-Dimethylethyl (3S)-3-(methylamino)-1-pyrrolidinecarboxylate147081-59-254 % similar 1-Pyrrolidinecarboxylicacid,3-(methylamino)-,1,1-dimethylethylester,(R)-(9ci)199336-83-954 % similar 1-Boc-3-methylaminopyrrolidine454712-26-654 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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