1-(2-Fluorophenyl)piperazine hydrochloride

C₁₀H₁₄ClFN₂CAS 1011-16-1216.68 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₀H₁₄ClFN₂
Molar mass: 216.68 g/mol
Exact mass: 216.0830 Da
logP: 1.66Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
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 irritation97.5% 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1011-16-1

SMILES

C1CN(CCN1)C2=CC=CC=C2F.Cl

InChIKey

JVQOFQHGEFLRRQ-UHFFFAOYSA-N

InChI

InChI=1S/C10H13FN2.ClH/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H

Weigh it out

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

Work with 1-(2-Fluorophenyl)piperazine 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

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.

1-(2-Fluorophenyl)piperazine1011-15-0Free base

Similar compounds

N-(2-Chlorophenyl)piperazine monohydrochloride41202-32-860 % similar N-(2-Methylphenyl)piperazine hydrochloride70849-60-460 % similar 1-(2,4-Difluorophenyl)piperazine115761-79-056 % similar 1-(2-Methoxyphenyl)piperazine hydrochloride5464-78-855 % similar 1-Phenylpiperazine hydrochloride2210-93-755 % similar 1-(2-Bromophenyl)piperazine1011-13-853 % similar 1-(2,3-Dichlorophenyl)piperazine hydrochloride119532-26-253 % similar 1-(2-Ethoxyphenyl)piperazine hydrochloride83081-75-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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