N-(4-Fluorobenzoyl)piperidine

C₁₂H₁₄FNOCAS 58547-67-4207.25 g/mol

Open in Covalent MOL file

Amide Aryl halide

Properties

Molecular formula: C₁₂H₁₄FNO
Molar mass: 207.25 g/mol
Exact mass: 207.1059 Da
logP: 2.45Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

58547-67-4

SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)F

InChIKey

UVBXLMBIXAPNBB-UHFFFAOYSA-N

InChI

InChI=1S/C12H14FNO/c13-11-6-4-10(5-7-11)12(15)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2

Weigh it out

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

Names and synonyms

1 names

(4-Fluorophenyl)(piperidin-1-yl)methanone

Work with N-(4-Fluorobenzoyl)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

Benzoylpiperidine776-75-065 % similar 4-(Piperidine-1-carbonyl)phenylboronic acid389621-83-458 % similar (4-(Pyrrolidine-1-carbonyl)phenyl)boronic acid389621-81-256 % similar 4-Fluoro-N-methoxy-N-methylbenzamide116332-54-851 % similar 1-(Quinoxalin-6-ylcarbonyl)piperidine154235-83-351 % similar ADX 47273851881-60-247 % similar N-Benzoyl-4-perhydroazepinone15923-40-746 % similar 4,4′-Difluorobenzophenone345-92-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(4-Fluorobenzoyl)piperidine56346-57-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook