1-(5-Chloro-2-methylphenyl)piperazine

C₁₁H₁₅ClN₂CAS 76835-20-6210.70 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₅ClN₂
Molar mass: 210.70 g/mol
Exact mass: 210.0924 Da
Boiling point: 123–124 °C (at 1 Torr)
logP: 2.06Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

76835-20-6

SMILES

Cc1ccc(Cl)cc1N1CCNCC1

InChIKey

FVDJRHNUZNLRJC-UHFFFAOYSA-N

InChI

InChI=1S/C11H15ClN2/c1-9-2-3-10(12)8-11(9)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3

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Names and synonyms

4 names

Piperazine, 1-(5-chloro-2-methylphenyl)-
4-(2-Methyl-5-chlorophenyl)piperazine
1-(5-Chloro-o-tolyl)piperazine
N-(5-Chloro-2-methylphenyl)piperazine

Work with 1-(5-Chloro-2-methylphenyl)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-(2,5-Dimethylphenyl)piperazine1013-25-866 % similar 1-(2-Methylphenyl)piperazine39512-51-157 % similar 1-(3,4-Dimethylphenyl)piperazine1014-05-756 % similar 1-(4-Chlorophenyl)piperazine38212-33-853 % similar 1-(3-Chlorophenyl)piperazine6640-24-053 % similar 1-(2,3-Dimethylphenyl)piperazine1013-22-553 % similar 1-(2,4-Dimethylphenyl)piperazine1013-76-953 % similar 1-(2,6-Dimethylphenyl)piperazine1012-91-550 % similar

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

Same formula

5-Methyltryptamine hydrochloride1010-95-3

Elsewhere

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