chempirical

1-[Bis(4-fluorophenyl)methyl]piperazine

C17H18F2N2CAS 27469-60-9288.34 g/mol

Open in Covalent MOL file
FFNNH
Aryl halideSecondary amineTertiary amine

Properties

Molecular formula
C17H18F2N2
Molar mass
288.34 g/mol
Exact mass
288.1438 Da
Melting point
88–91 °C
logP
2.96Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
27469-60-9
SMILES
Fc1ccc(C(c2ccc(F)cc2)N2CCNCC2)cc1
InChIKey
TTXIFFYPVGWLSE-UHFFFAOYSA-N
InChI
InChI=1S/C17H18F2N2/c18-15-5-1-13(2-6-15)17(21-11-9-20-10-12-21)14-3-7-16(19)8-4-14/h1-8,17,20H,9-12H2

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Names and synonyms

9 names
  • Piperazine, 1-[bis(4-fluorophenyl)methyl]-
  • Piperazine, 1-[bis(p-fluorophenyl)methyl]-
  • 1-(Di-p-fluorobenzhydryl)piperazine
  • R 19352
  • T 841
  • N-(4,4′-Difluorobenzhydryl)piperazine
  • N-(Bis(4-fluorophenyl)methyl)piperazine
  • 4-[Bis(4-fluorophenyl)methyl]piperazine
  • 4,4′-Difluorobenzhydrylpiperazine

Work with 1-[Bis(4-fluorophenyl)methyl]piperazine

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

Diphenylmethylpiperazine841-77-063 % similar (-)-1-[(4-Chlorophenyl)phenylmethyl]piperazine130018-88-156 % similar (-)-1-[(4-Chlorophenyl)phenylmethyl]piperazine300543-56-056 % similar Norchlorcyclizine303-26-456 % similar 1-(4-Fluorophenyl)piperazine2252-63-353 % similar Flunarizine52468-60-747 % similar 1-[(4-Fluorophenyl)methyl]hexahydro-1H-1,4-diazepine76141-89-445 % similar 1-(10,11-Dihydro-5H-dibenzo[A,D]cyclohepten-5-yl)piperazine69159-50-844 % similar

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

Elsewhere

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