chempirical

1-(2-Ethylphenyl)piperazine

C12H18N2CAS 40224-10-0190.29 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
1.66Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
40224-10-0
SMILES
CCc1ccccc1N1CCNCC1
InChIKey
LMQFWBCKQMNEEH-UHFFFAOYSA-N
InChI
InChI=1S/C12H18N2/c1-2-11-5-3-4-6-12(11)14-9-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3

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Names and synonyms

3 names
  • Piperazine, 1-(2-ethylphenyl)-
  • Piperazine, 1-(o-ethylphenyl)-
  • N-(2-Ethylphenyl)piperazine

Work with 1-(2-Ethylphenyl)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-(2-Methylphenyl)piperazine39512-51-158 % similar 1-(2-Bromophenyl)piperazine1011-13-855 % similar 1-(2-Ethoxyphenyl)piperazine13339-01-054 % similar 1-(2-Fluorophenyl)piperazine1011-15-053 % similar 2-(1-Piperazinyl)phenol1011-17-253 % similar 1-(2-Chlorophenyl)piperazine39512-50-053 % similar 1-(2-Methoxyphenyl)piperazine35386-24-453 % similar 1-(1-Naphthyl)piperazine57536-86-451 % 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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