1-(3-methylpyridin-4-yl)piperazine

• ChemBase ID: 307307
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: N1(c2c(cncc2)C)CCNCC1
• Canonical SMILES: Cc1cnccc1N1CCNCC1
• InChI: InChI=1S/C10H15N3/c1-9-8-12-3-2-10(9)13-6-4-11-5-7-13/h2-3,8,11H,4-7H2,1H3
• InChIKey: QIELQJJSSZTEJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-methylpyridin-4-yl)piperazine
• IUPAC Traditional name: 1-(3-methylpyridin-4-yl)piperazine
• Synonyms: 1-(3-methylpyridin-4-yl)piperazine

Database IDs

• CAS Number: 112940-51-9
• MDL Number: MFCD08059934

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.1234581
• LogD (pH = 7.4): -1.5157622
• Log P: 0.8411103
• Molar Refractivity: 54.1263 cm^3
• Polarizability: 20.496595 Å^3
• Polar Surface Area: 28.16 Å^2