4-(4-Fluorobenzoyl)piperidine

C₁₂H₁₄FNOCAS 56346-57-7207.25 g/mol

Open in Covalent MOL file

Aryl halide Ketone Secondary amine

Properties

Molecular formula: C₁₂H₁₄FNO
Molar mass: 207.25 g/mol
Exact mass: 207.1059 Da
logP: 2.01Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed97.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 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

56346-57-7

SMILES

C1CNCCC1C(=O)C2=CC=C(C=C2)F

InChIKey

ABERUOJGWHYBJL-UHFFFAOYSA-N

InChI

InChI=1S/C12H14FNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-4,10,14H,5-8H2

Weigh it out

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

Work with 4-(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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

p-Fluorophenyl 4-piperidyl ketone hydrochloride25519-78-2Salt

Similar compounds

Cyclopropyl(4-fluorophenyl)methanone772-31-677 % similar 4-(4-Chlorobenzoyl)piperidine53220-41-066 % similar 1-(2',4'-Difluorophenyl)-1-(4-piperidinyl) methanone84162-86-762 % similar 4-(4-Chlorobenzoyl)piperidine hydrochloride55695-51-761 % similar (2,4-Difluorophenyl)(piperidin-4-yl)methanone hydrochloride106266-04-057 % similar 4-(4-Fluoro-benzyl)-piperidine92822-02-150 % similar 4-(4-Fluorophenyl)piperidine37656-48-749 % similar 2-Chloro-1-(4-fluorophenyl)propan-1-one81112-09-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(4-Fluorobenzoyl)piperidine58547-67-4

Elsewhere

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