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

• ChemBase ID: 245127
• Molecular Formular: C11H17N3O
• Molecular Mass: 207.27218
• Monoisotopic Mass: 207.13716218
• SMILES: c1(nc(cc(n1)CO)C)N1CCCCC1
• Canonical SMILES: OCc1cc(C)nc(n1)N1CCCCC1
• InChI: InChI=1S/C11H17N3O/c1-9-7-10(8-15)13-11(12-9)14-5-3-2-4-6-14/h7,15H,2-6,8H2,1H3
• InChIKey: UUIFHKILVXDLIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD17216994
• PubChem SID: 164301037
• PubChem CID: 62770501

CALCULATED PROPERTIES

• Acid pKa: 14.201146
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1230216
• LogD (pH = 7.4): 1.1323041
• Log P: 1.1324238
• Molar Refractivity: 60.1241 cm^3
• Polarizability: 22.381004 Å^3
• Polar Surface Area: 49.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 51 - 53°C
• Hydrophobicity(logP): 0.728

Product Information

• Purity: 95%