(6-methylpiperidin-2-yl)methanol

• ChemBase ID: 241181
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N1C(CO)CCCC1C
• Canonical SMILES: OCC1CCCC(N1)C
• InChI: InChI=1S/C7H15NO/c1-6-3-2-4-7(5-9)8-6/h6-9H,2-5H2,1H3
• InChIKey: ZIYHYFOCJMWAQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-methylpiperidin-2-yl)methanol
• IUPAC Traditional name: (6-methylpiperidin-2-yl)methanol
• Synonyms: (6-methylpiperidin-2-yl)methanol

Database IDs

• MDL Number: MFCD13183924
• PubChem SID: 164297091
• PubChem CID: 5246734

CALCULATED PROPERTIES

• Acid pKa: 15.120148
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.7709565
• LogD (pH = 7.4): -2.0097218
• Log P: 0.44372773
• Molar Refractivity: 37.2167 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

• Melting Point: 79 - 81°C
• Hydrophobicity(logP): 0.77

Product Information

• Purity: 95%