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

C₁₇H₁₈F₂N₂CAS 27469-60-9288.34 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine Tertiary 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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H315 Causes skin irritation91.5% of notifiers
H319 Causes serious eye irritation91.5% of notifiers
H335 May cause respiratory irritation89.4% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

10 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
1-(Bis(4-fluorophenyl)methyl)piperazine

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

1-(4-Fluoro-alpha-phenylbenzyl)piperazine27064-89-787 % similar Diphenylmethylpiperazine841-77-063 % similar 1-(4,4'-Dichlorobenzhydryl)piperazine27469-61-063 % 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 4-(4-Fluorophenyl)piperidine37656-48-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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