1-(2-Fluorophenyl)piperazine

C₁₀H₁₃FN₂CAS 1011-15-0180.23 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
Density: 1.14 g/mL
Melting point: 176.5–178.5 °C
Boiling point: 93 °C (at 0.5 Torr)
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
H312 Harmful in contact with skin89.1% 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
H332 Harmful if inhaled87% of notifiers
H335 May cause respiratory irritation84.8% 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

1011-15-0

SMILES

Fc1ccccc1N1CCNCC1

InChIKey

IVTZRJKKXSKXKO-UHFFFAOYSA-N

InChI

InChI=1S/C10H13FN2/c11-9-3-1-2-4-10(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 and density.

Names and synonyms

5 names

Piperazine, 1-(2-fluorophenyl)-
Piperazine, 1-(o-fluorophenyl)-
N-(2-Fluorophenyl)piperazine
1-(o-Fluorophenyl)piperazine
4-(2-Fluorophenyl)piperazine

Work with 1-(2-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 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-(2-Fluorophenyl)piperazine hydrochloride1011-16-1Salt

Similar compounds

1-(2,4-Difluorophenyl)piperazine115761-79-061 % similar 1-(2-Bromophenyl)piperazine1011-13-858 % similar 2-(1-Piperazinyl)phenol1011-17-256 % similar 1-(2-Chlorophenyl)piperazine39512-50-056 % similar 2-Mepp39512-51-156 % similar 1-[2-(Trifluoromethyl)phenyl]piperazine63854-31-956 % similar 1-(1-Naphthyl)piperazine57536-86-455 % similar 1-(2-Cyanophenyl)piperazine111373-03-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(4-Fluorophenyl)piperazine2252-63-3 1-(3-Fluorophenyl)piperazine3801-89-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook