4-Fluoropiperidine hydrochloride

C₅H₁₁ClFNCAS 57395-89-8139.60 g/mol

Open in Covalent MOL file

Alkyl halide Secondary amine

Properties

Molecular formula: C₅H₁₁ClFN
Molar mass: 139.60 g/mol
Exact mass: 139.0564 Da
logP: 1.13Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed84.8% of notifiers
H315 Causes skin irritation10.9% of notifiers
H319 Causes serious eye irritation95.7% of notifiers
H335 May cause respiratory irritation10.9% of notifiers

Aggregated from 46 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

57395-89-8

SMILES

C1CNCCC1F.Cl

InChIKey

IXENWFQXVCOHAZ-UHFFFAOYSA-N

InChI

InChI=1S/C5H10FN.ClH/c6-5-1-3-7-4-2-5;/h5,7H,1-4H2;1H

Weigh it out

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

Work with 4-Fluoropiperidine hydrochloride

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

(R)-3-Fluoropyrrolidine hydrochloride136725-55-871 % similar 3-Fluoropyrrolidine hydrochloride169750-17-871 % similar 3-Fluoropyrrolidine116574-74-457 % similar 4,4′-Dipiperidine dihydrochloride78619-84-855 % similar 3-Fluoroazetidine hydrochloride617718-46-452 % similar 4-(Trifluoromethyl)piperidine hydrochloride155849-49-348 % similar 4-Aminopiperidine dihydrochloride35621-01-348 % similar 4-Hydroxypiperidinium chloride5382-17-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoropiperidine HCl737000-77-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook