(4-methoxypiperidin-4-yl)methanol

• ChemBase ID: 180478
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: C(O)C1(CCNCC1)OC
• Canonical SMILES: OCC1(OC)CCNCC1
• InChI: InChI=1S/C7H15NO2/c1-10-7(6-9)2-4-8-5-3-7/h8-9H,2-6H2,1H3
• InChIKey: DPBSQLYPDQHIBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methoxypiperidin-4-yl)methanol
• IUPAC Traditional name: (4-methoxypiperidin-4-yl)methanol
• Synonyms: (4-Methoxypiperidin-4-yl)methanol

Database IDs

• CAS Number: 1082040-31-0
• PubChem SID: 164236388
• PubChem CID: 53399400

CALCULATED PROPERTIES

• Acid pKa: 14.363401
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.1950397
• LogD (pH = 7.4): -3.256367
• Log P: -0.99802566
• Molar Refractivity: 39.3508 cm^3
• Polarizability: 15.740703 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true