4-(4-Bromophenyl)piperidine

C₁₁H₁₄BrNCAS 80980-89-8240.14 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₁₁H₁₄BrN
Molar mass: 240.14 g/mol
Exact mass: 239.0310 Da
logP: 2.92Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

80980-89-8

SMILES

C1CNCCC1C2=CC=C(C=C2)Br

InChIKey

ZKABWLFDCJKQRE-UHFFFAOYSA-N

InChI

InChI=1S/C11H14BrN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2

Weigh it out

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

Names and synonyms

1 names

4-(4'-Bromophenyl)piperidine

Work with 4-(4-Bromophenyl)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-Bromo-4-cyclopropylbenzene1124-14-771 % similar 1-Bromo-4-cyclohexylbenzene25109-28-863 % similar 4-Phenylpiperidine771-99-359 % similar 4-(4-Fluorophenyl)piperidine37656-48-759 % similar 1,2,3,4,5,6-Hexahydro-[4,4′]bipyridinyl581-45-355 % similar 4-Phenylpiperidine hydrochloride10272-49-853 % similar 1-Bromo-4-(trans-4-propylcyclohexyl)benzene86579-53-552 % similar 2-(4-Bromophenyl)pyrrolidine383127-22-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-3-(4-Bromophenyl)piperidine1335523-82-4

Elsewhere

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