tert-Butyl (S)-3-(4-bromophenyl)piperidine-1-carboxylate

C₁₆H₂₂BrNO₂CAS 1476776-55-2340.26 g/mol

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Aryl halide Carbamate

Properties

Molecular formula: C₁₆H₂₂BrNO₂
Molar mass: 340.26 g/mol
Exact mass: 339.0834 Da
logP: 4.56Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

1476776-55-2

SMILES

CC(C)(C)OC(=O)N1CCC[C@H](C1)C2=CC=C(C=C2)Br

InChIKey

WRSHWNCUNYWQBB-CYBMUJFWSA-N

InChI

InChI=1S/C16H22BrNO2/c1-16(2,3)20-15(19)18-10-4-5-13(11-18)12-6-8-14(17)9-7-12/h6-9,13H,4-5,10-11H2,1-3H3/t13-/m1/s1

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Names and synonyms

1 names

tert-Butyl (3s)-3-(4-bromophenyl)-piperidine-1-carboxylate

Work with tert-Butyl (S)-3-(4-bromophenyl)piperidine-1-carboxylate

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

(S)-tert-Butyl 3-(4-aminophenyl)piperidine-1-carboxylate1171197-20-875 % similar tert-Butyl 4-(4-bromophenyl)piperazine-1-carboxylate352437-09-356 % similar 1-Boc-3-bromomethylpiperidine193629-39-954 % similar 4-P-Aminophenyl-1-boc-piperidine170011-57-154 % similar (R)-1-Boc-3-hydroxypiperidine143900-43-053 % similar (S)-1-Boc-3-hydroxypiperidine143900-44-153 % similar 1-Boc-3-aminopiperidine144243-24-353 % similar N-Boc-3-aminopiperidine184637-48-753 % similar

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

Elsewhere

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