1-(3-Fluorophenyl)piperazine

C₁₀H₁₃FN₂CAS 3801-89-6180.23 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
Boiling point: 145–155 °C (at 3 Torr)
logP: 1.24Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers
H412 Harmful to aquatic life with long lasting effects66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, 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

3801-89-6

SMILES

Fc1cccc(N2CCNCC2)c1

InChIKey

KIFCSMQTGWVMOD-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

Piperazine, 1-(3-fluorophenyl)-
Piperazine, 1-(m-fluorophenyl)-
N-(3-Fluorophenyl)piperazine
1-(m-Fluorophenyl)piperazine
4-(3-Fluorophenyl)piperazine

Work with 1-(3-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

Similar compounds

1-(3-Chlorophenyl)piperazine6640-24-065 % similar 1-(3-Biphenylyl)piperazine115761-61-061 % similar 1-(3-Bromophenyl)piperazine31197-30-561 % similar 1-(3-Methylphenyl)piperazine41186-03-261 % similar 1-(3-Hydroxyphenyl)piperazine59817-32-261 % similar 1-[3-(Trifluoromethyl)phenyl]piperazine15532-75-960 % similar 1-(3-Chlorophenyl)piperazine hydrochloride13078-15-459 % similar 1-(3-Chlorophenyl)piperazine dihydrochloride51639-49-759 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(2-Fluorophenyl)piperazine1011-15-0 1-(4-Fluorophenyl)piperazine2252-63-3

Elsewhere

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