chempirical

1-(1-Phenylethyl)piperazine

C12H18N2CAS 69628-75-7190.29 g/mol

Open in Covalent MOL file
NHN
Secondary amineTertiary amine

Properties

Molecular formula
C12H18N2
Molar mass
190.29 g/mol
Exact mass
190.1470 Da
logP
1.65Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
69628-75-7
SMILES
CC(c1ccccc1)N1CCNCC1
InChIKey
PYBNQKSXWAIBKN-UHFFFAOYSA-N
InChI
InChI=1S/C12H18N2/c1-11(12-5-3-2-4-6-12)14-9-7-13-8-10-14/h2-6,11,13H,7-10H2,1H3

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Names and synonyms

3 names
  • Piperazine, 1-(1-phenylethyl)-
  • Piperazine, 1-(α-methylbenzyl)-
  • 1-(α-Methylbenzyl)piperazine

Work with 1-(1-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

Diphenylmethylpiperazine841-77-063 % similar (-)-1-[(4-Chlorophenyl)phenylmethyl]piperazine130018-88-151 % similar (-)-1-[(4-Chlorophenyl)phenylmethyl]piperazine300543-56-051 % similar Norchlorcyclizine303-26-451 % similar (αS)-N,N,α-Trimethylbenzenemethanamine17279-31-148 % similar (αR)-N,N,α-Trimethylbenzenemethanamine19342-01-948 % similar 1-(10,11-Dihydro-5H-dibenzo[A,D]cyclohepten-5-yl)piperazine69159-50-844 % similar 4-Phenylpiperidine771-99-344 % 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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