1-(2-Phenylethyl)piperazine

C₁₂H₁₈N₂CAS 5321-49-3190.29 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₂H₁₈N₂
Molar mass: 190.29 g/mol
Exact mass: 190.1470 Da
Melting point: 156 °C
Boiling point: 156–158 °C (at 10 Torr)
logP: 1.13Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

5321-49-3

SMILES

c1ccc(CCN2CCNCC2)cc1

InChIKey

LKUAPSRIYZLAAO-UHFFFAOYSA-N

InChI

InChI=1S/C12H18N2/c1-2-4-12(5-3-1)6-9-14-10-7-13-8-11-14/h1-5,13H,6-11H2

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

Names and synonyms

7 names

Piperazine, 1-(2-phenylethyl)-
Piperazine, 1-phenethyl-
1-Phenethylpiperazine
N-(β-Phenylethyl)piperazine
N-Phenethylpiperazine
4-Phenethylpiperazine
N-(2-Phenylethyl)piperazine

Work with 1-(2-Phenylethyl)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-Benzylpiperazine2759-28-669 % similar 4-Benzylpiperazine hydrochloride110475-31-562 % similar Benzylpiperazine dihydrochloride5321-63-162 % similar N-Phenethyl-4-piperidinone39742-60-452 % similar 1-(3-Methylbenzyl)piperazine5321-48-250 % similar Phenylpiperazine92-54-650 % similar 1-Cinnamylpiperazine18903-01-048 % similar 1-(3-Fluorobenzyl)piperazine55513-19-447 % similar

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

Same formula

1-(2,6-Dimethylphenyl)piperazine1012-91-5 1-(2,3-Dimethylphenyl)piperazine1013-22-5 1-(2,5-Dimethylphenyl)piperazine1013-25-8 1-(2,4-Dimethylphenyl)piperazine1013-76-9 1-(3,4-Dimethylphenyl)piperazine1014-05-7 (3S)-1-(Phenylmethyl)-3-piperidinamine168466-85-1 1-(2-Pyridinyl)cyclohexanemethanamine204067-08-3 3-Methyl-1-(phenylmethyl)piperazine3138-90-7

Elsewhere

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