1-(2-methylpyridin-4-yl)piperazine

• ChemBase ID: 307317
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: N1(c2cc(ncc2)C)CCNCC1
• Canonical SMILES: Cc1nccc(c1)N1CCNCC1
• InChI: InChI=1S/C10H15N3/c1-9-8-10(2-3-12-9)13-6-4-11-5-7-13/h2-3,8,11H,4-7H2,1H3
• InChIKey: FIPQSNSVDULSJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methylpyridin-4-yl)piperazine
• IUPAC Traditional name: 1-(2-methylpyridin-4-yl)piperazine
• Synonyms: 1-(2-methylpyridin-4-yl)piperazine; 1-(2-methyl-4-pyridinyl)piperazine

Database IDs

• CAS Number: 98010-38-9
• MDL Number: MFCD08691575

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.9629922
• LogD (pH = 7.4): -2.213927
• Log P: 0.45905906
• Molar Refractivity: 53.6766 cm^3
• Polarizability: 20.496655 Å^3
• Polar Surface Area: 28.16 Å^2