(6-methylpiperidin-3-yl)methanol

• ChemBase ID: 241473
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N1CC(CCC1C)CO
• Canonical SMILES: OCC1CCC(NC1)C
• InChI: InChI=1S/C7H15NO/c1-6-2-3-7(5-9)4-8-6/h6-9H,2-5H2,1H3
• InChIKey: FMYGWFUUVQICDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-methylpiperidin-3-yl)methanol
• IUPAC Traditional name: (6-methylpiperidin-3-yl)methanol
• Synonyms: (6-methylpiperidin-3-yl)methanol

Database IDs

• MDL Number: MFCD20039984
• PubChem SID: 164297383
• PubChem CID: 19019559

CALCULATED PROPERTIES

• Acid pKa: 15.431894
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.177453
• LogD (pH = 7.4): -2.5114186
• Log P: 0.04391362
• Molar Refractivity: 37.5557 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.014

Product Information

• Purity: 95%