1-(2,5-Dimethylphenyl)piperazine

C₁₂H₁₈N₂CAS 1013-25-8190.29 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: 105–108 °C (at 1 Torr)
logP: 1.71Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

1013-25-8

SMILES

Cc1ccc(C)c(N2CCNCC2)c1

InChIKey

YRIFWVMRUFKWLM-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

Piperazine, 1-(2,5-dimethylphenyl)-
Piperazine, 1-(2,5-xylyl)-
1-(2,5-Xylyl)piperazine
N-2,5-Xylylpiperazine
N-(2,5-Dimethylphenyl)piperazine

Work with 1-(2,5-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-(5-Chloro-2-methylphenyl)piperazine76835-20-666 % similar 1-(2-Methylphenyl)piperazine39512-51-161 % similar Vortioxetine508233-74-757 % similar 1-(4-Methylphenyl)piperazine39593-08-355 % similar Vortioxetine hydrobromide960203-27-455 % similar 1-(3-Methylphenyl)piperazine41186-03-253 % similar 1-(4-Methyl-2-pyridinyl)piperazine34803-67-350 % similar 1-(3-Methylphenyl)piperazine dihydrochloride13078-13-249 % 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-(2,4-Dimethylphenyl)piperazine1013-76-9 1-(3,4-Dimethylphenyl)piperazine1014-05-7 (R)-3-Amino-1-benzylpiperidine168466-84-0 (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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