1-(4-Fluorophenyl)piperazine dihydrochloride

C₁₀H₁₅Cl₂FN₂CAS 64090-19-3253.14 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₀H₁₅Cl₂FN₂
Molar mass: 253.14 g/mol
Exact mass: 252.0596 Da
logP: 2.08Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

64090-19-3

SMILES

C1CN(CCN1)C2=CC=C(C=C2)F.Cl.Cl

InChIKey

DZQVAQAZQDURKX-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 1-(4-Fluorophenyl)piperazine dihydrochloride

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-(4-Fluorophenyl)piperazine2252-63-3Free base

Similar compounds

1-(4-Chlorophenyl)piperazine hydrochloride13078-12-165 % similar N-(4-Chlorophenyl)piperazine dihydrochloride38869-46-465 % similar 1-Phenylpiperazine hydrochloride2210-93-763 % similar 1-(4-Bromophenyl)piperazine monohydrochloride68104-62-163 % similar 1-(3-Fluorophenyl)piperazine3801-89-658 % similar N-(4-Methoxyphenyl)piperazine dihydrochloride38869-47-557 % similar 1-(4-Methoxyphenyl)piperazine hydrochloride84145-43-757 % similar 1-(4-Chlorophenyl)piperazine38212-33-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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