1-(4-Fluorophenyl)piperazine

C₁₀H₁₃FN₂CAS 2252-63-3180.23 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₀H₁₃FN₂
Molar mass: 180.23 g/mol
Exact mass: 180.1063 Da
Melting point: 30–33 °C
Boiling point: 118–123 °C
logP: 1.24Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed10.9% of notifiers
H302 Harmful if swallowed89.1% of notifiers
H314 Causes severe skin burns and eye damage13% of notifiers
H315 Causes skin irritation87% of notifiers
H319 Causes serious eye irritation87% of notifiers
H335 May cause respiratory irritation87% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

2252-63-3

SMILES

Fc1ccc(N2CCNCC2)cc1

InChIKey

AVJKDKWRVSSJPK-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

7 names

Piperazine, 1-(4-fluorophenyl)-
Piperazine, 1-(p-fluorophenyl)-
N-(p-Fluorophenyl)piperazine
1-(p-Fluorophenyl)piperazine
4-(4-Fluorophenyl)piperazine
N-(4-Fluorophenyl)piperazine
p-Fluorophenylpiperazine

Work with 1-(4-Fluorophenyl)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 Boiling point under vacuumAt any pressure, from its normal boiling point 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)piperazine dihydrochloride64090-19-3Salt

Similar compounds

1-(4-Chlorophenyl)piperazine38212-33-861 % similar Phenylpiperazine92-54-659 % similar 1-(p-Tolyl)piperazine39593-08-359 % similar p-(1-Piperazinyl)phenol56621-48-859 % similar 1-(4-Bromophenyl)piperazine66698-28-059 % similar 1-(4-(Trifluoromethyl)phenyl)piperazine30459-17-758 % similar 1-Biphenyl-4-yl-piperazine180698-19-557 % similar 1-(4-Pyridyl)piperazine1008-91-955 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(2-Fluorophenyl)piperazine1011-15-0 1-(3-Fluorophenyl)piperazine3801-89-6

Elsewhere

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