1-(2,6-dimethylpyridin-4-yl)piperazine

• ChemBase ID: 306888
• Molecular Formular: C11H17N3
• Molecular Mass: 191.27278
• Monoisotopic Mass: 191.14224756
• SMILES: c1(N2CCNCC2)cc(nc(c1)C)C
• Canonical SMILES: Cc1cc(cc(n1)C)N1CCNCC1
• InChI: InChI=1S/C11H17N3/c1-9-7-11(8-10(2)13-9)14-5-3-12-4-6-14/h7-8,12H,3-6H2,1-2H3
• InChIKey: BCANMDDAARPKKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,6-dimethylpyridin-4-yl)piperazine
• IUPAC Traditional name: 1-(2,6-dimethylpyridin-4-yl)piperazine
• Synonyms: 1-(2,6-dimethylpyridin-4-yl)piperazine

Database IDs

• CAS Number: 166954-07-0
• MDL Number: MFCD09055259

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.2976184
• LogD (pH = 7.4): -2.4487085
• Log P: 0.59042925
• Molar Refractivity: 58.2681 cm^3
• Polarizability: 22.263212 Å^3
• Polar Surface Area: 28.16 Å^2