1-(2,6-Dimethylphenyl)piperazine

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

2-Mepp39512-51-163 % similar N-(2-Methylphenyl)piperazine hydrochloride70849-60-458 % similar 1-(2,3-Dimethylphenyl)piperazine hydrochloride80836-96-057 % similar 1-(3-Methylphenyl)piperazine41186-03-250 % similar 1-(5-Chloro-2-methylphenyl)piperazine76835-20-650 % similar 1-(p-Tolyl)piperazine39593-08-347 % similar Phenylpiperazine92-54-647 % similar 1-(3-Methylphenyl)piperazine dihydrochloride13078-13-246 % 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 (R)-3-Amino-1-benzylpiperidine168466-84-0 (3S)-1-(Phenylmethyl)-3-piperidinamine168466-85-1 (3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine169749-99-9 1-(2-Pyridinyl)cyclohexanemethanamine204067-08-3

Elsewhere

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