1-(4-Fluoro-alpha-phenylbenzyl)piperazine

C₁₇H₁₉FN₂CAS 27064-89-7270.35 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₇H₁₉FN₂
Molar mass: 270.35 g/mol
Exact mass: 270.1532 Da
logP: 2.82Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

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 irritation100% of notifiers

Aggregated from the 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

27064-89-7

SMILES

C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)F

InChIKey

KKMSCNTZDCYNSC-UHFFFAOYSA-N

InChI

InChI=1S/C17H19FN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2

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Names and synonyms

1 names

1-((4-Fluorophenyl)(phenyl)methyl)piperazine

Work with 1-(4-Fluoro-alpha-phenylbenzyl)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-[Bis(4-fluorophenyl)methyl]piperazine27469-60-987 % similar Diphenylmethylpiperazine841-77-077 % similar (-)-1-[(4-Chlorophenyl)phenylmethyl]piperazine130018-88-167 % similar (-)-1-[(4-Chlorophenyl)phenylmethyl]piperazine300543-56-067 % similar Norchlorcyclizine303-26-467 % similar 1-(4,4'-Dichlorobenzhydryl)piperazine27469-61-056 % similar Flunarizine52468-60-752 % similar 1-(1-Phenylethyl)piperazine69628-75-751 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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