(3-methylpiperidin-3-yl)methanol

• ChemBase ID: 242634
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C1(CNCCC1)(CO)C
• Canonical SMILES: OCC1(C)CCCNC1
• InChI: InChI=1S/C7H15NO/c1-7(6-9)3-2-4-8-5-7/h8-9H,2-6H2,1H3
• InChIKey: DMGCHHGYZKQCNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 221298-00-6
• MDL Number: MFCD09055357
• PubChem SID: 164298544
• PubChem CID: 19594566

CALCULATED PROPERTIES

• Acid pKa: 15.080205
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.0907338
• LogD (pH = 7.4): -2.2788253
• Log P: 0.11969018
• Molar Refractivity: 37.4798 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%