piperidin-4-yl(pyridin-2-yl)methanol

• ChemBase ID: 60580
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: C1CNCCC1C(c1ncccc1)O
• Canonical SMILES: OC(c1ccccn1)C1CCNCC1
• InChI: InChI=1S/C11H16N2O/c14-11(9-4-7-12-8-5-9)10-3-1-2-6-13-10/h1-3,6,9,11-12,14H,4-5,7-8H2
• InChIKey: BXDBAOURAFYYOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidin-4-yl(pyridin-2-yl)methanol
• IUPAC Traditional name: piperidin-4-yl(pyridin-2-yl)methanol
• Synonyms: 4-piperidinyl(2-pyridinyl)methanol; Piperidin-4-yl(pyridin-2-yl)methanol

Database IDs

• CAS Number: 884504-89-6
• MDL Number: MFCD09864254
• PubChem SID: 162026321
• PubChem CID: 44721406

CALCULATED PROPERTIES

• Polarizability: 21.890892 Å^3
• Polar Surface Area: 45.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 13.55222
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.8843567
• LogD (pH = 7.4): -2.1642702
• Log P: 0.38601074
• Molar Refractivity: 54.9145 cm^3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false