4-(4-Fluoro-benzyl)-piperidine

C₁₂H₁₆FNCAS 92822-02-1193.27 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₁₂H₁₆FN
Molar mass: 193.27 g/mol
Exact mass: 193.1267 Da
logP: 2.37Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 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

92822-02-1

SMILES

C1CNCCC1CC2=CC=C(C=C2)F

InChIKey

JLAKCHGEEBPDQI-UHFFFAOYSA-N

InChI

InChI=1S/C12H16FN/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-4,11,14H,5-9H2

Weigh it out

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Names and synonyms

1 names

4-(4'-Fluorobenzyl)piperidine

Work with 4-(4-Fluoro-benzyl)-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

4-Benzylpiperidine31252-42-362 % similar 4-(4-Fluorophenyl)piperidine37656-48-755 % similar N-(4-Fluorophenyl)-4-piperidinamine38043-08-252 % similar 4-(4-Fluorobenzoyl)piperidine56346-57-750 % similar 1-(4-Fluorobenzyl)piperazine70931-28-147 % similar p-Fluorophenyl 4-piperidyl ketone hydrochloride25519-78-246 % similar 2-(4-Fluorobenzylamino)ethanol22116-33-243 % similar 1,1′-Methylenebis[4-fluorobenzene]457-68-143 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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