Phenylpiperazine

C₁₀H₁₄N₂CAS 92-54-6162.24 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₀H₁₄N₂
Molar mass: 162.24 g/mol
Exact mass: 162.1157 Da
Density: 1.0725 g/mL (at 14 °C)
Melting point: 235–238 °C
Boiling point: 286.5 °C
pKa: 9
logP: 1.10Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed96.9% of notifiers
H310 Fatal in contact with skin36.9% of notifiers
H311 Toxic in contact with skin61.5% of notifiers
H314 Causes severe skin burns and eye damage98.5% of notifiers

Aggregated from 65 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P262, P264, P270, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P405, P501

Identifiers

CAS number

92-54-6

SMILES

c1ccc(N2CCNCC2)cc1

InChIKey

YZTJYBJCZXZGCT-UHFFFAOYSA-N

InChI

InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2

Weigh it out

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

Names and synonyms

6 names

Piperazine, 1-phenyl-
1-Phenylpiperazine
N-Phenylpiperazine
NPP
1-Phenylpiperiazine
CD 3-3013

Work with Phenylpiperazine

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-Phenylpiperazine hydrochloride2210-93-7Salt

Similar compounds

1-Biphenyl-4-yl-piperazine180698-19-576 % similar 1-(3-Biphenylyl)piperazine115761-61-068 % similar 1-(3-Methylphenyl)piperazine41186-03-262 % similar 1-(4-Pyridyl)piperazine1008-91-962 % similar 1-(4-Chlorophenyl)piperazine38212-33-862 % similar 1-Phenylpyrrolidine4096-21-361 % similar 1-(3-Chlorophenyl)piperazine6640-24-061 % similar 1-(4-Fluorophenyl)piperazine2252-63-359 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(±)-Anabasine13078-04-1 DL-Nicotine22083-74-5 1-Methyl-1,2,3,4-tetrahydroquinolin-7-amine304690-94-6 Anabasine494-52-0 2-Phenylpiperazine5271-26-1 (-)-Nicotine54-11-5 1,2,3,4,5,6-Hexahydro-[4,4′]bipyridinyl581-45-3

Elsewhere

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