1-(2,6-Dimethylphenyl)piperazine

C₁₂H₁₈N₂CAS 1012-91-5190.29 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
Boiling point: 148 °C (at 10 Torr)
logP: 1.71Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

1012-91-5

SMILES

Cc1cccc(C)c1N1CCNCC1

InChIKey

JDVUSTNITSGJOH-UHFFFAOYSA-N

InChI

InChI=1S/C12H18N2/c1-10-4-3-5-11(2)12(10)14-8-6-13-7-9-14/h3-5,13H,6-9H2,1-2H3

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

Names and synonyms

4 names

Piperazine, 1-(2,6-dimethylphenyl)-
Piperazine, 1-(2,6-xylyl)-
1-(2,6-Xylyl)piperazine
4-(2,6-Dimethylphenyl)piperazine

Work with 1-(2,6-Dimethylphenyl)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)piperazine39512-51-163 % similar 1-(3-Methylphenyl)piperazine41186-03-250 % similar 1-(5-Chloro-2-methylphenyl)piperazine76835-20-650 % similar 1-(4-Methylphenyl)piperazine39593-08-347 % similar Phenylpiperazine92-54-647 % similar 1-(3-Methylphenyl)piperazine dihydrochloride13078-13-246 % similar 4-[(2,6-Dimethylphenyl)aminocarbonylmethyl]piperazine5294-61-145 % similar 1-(3,5-Dichloro-4-pyridinyl)piperazine175277-80-244 % similar

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

Same formula

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 1-(2-Ethylphenyl)piperazine40224-10-0

Elsewhere

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