[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methanol

• ChemBase ID: 101404
• Molecular Formular: C11H17N3O
• Molecular Mass: 207.27218
• Monoisotopic Mass: 207.13716218
• SMILES: N1(c2nc(cnc2)C)CCC(CC1)CO
• Canonical SMILES: OCC1CCN(CC1)c1cncc(n1)C
• InChI: InChI=1S/C11H17N3O/c1-9-6-12-7-11(13-9)14-4-2-10(8-15)3-5-14/h6-7,10,15H,2-5,8H2,1H3
• InChIKey: KGGNRLCKRDFLQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(6-methylpyrazin-2-yl)piperidin-4-yl]methanol
• IUPAC Traditional name: [1-(6-methylpyrazin-2-yl)piperidin-4-yl]methanol
• Synonyms: [1-(6-methylpyrazin-2-yl)piperid-4-yl]methanol

Database IDs

• CAS Number: 886851-59-8
• MDL Number: MFCD09025896
• PubChem SID: 162087162
• PubChem CID: 18525898

CALCULATED PROPERTIES

• Acid pKa: 15.46715
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.14977576
• LogD (pH = 7.4): 0.15042458
• Log P: 0.15043285
• Molar Refractivity: 59.6201 cm^3
• Polarizability: 22.384224 Å^3
• Polar Surface Area: 49.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%