piperidin-4-yl(pyridin-3-yl)methanol

• ChemBase ID: 306880
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: C(c1cnccc1)(C1CCNCC1)O
• Canonical SMILES: OC(c1cccnc1)C1CCNCC1
• InChI: InChI=1S/C11H16N2O/c14-11(9-3-6-12-7-4-9)10-2-1-5-13-8-10/h1-2,5,8-9,11-12,14H,3-4,6-7H2
• InChIKey: GMUHNGNJDJIZLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidin-4-yl(pyridin-3-yl)methanol
• IUPAC Traditional name: piperidin-4-yl(pyridin-3-yl)methanol
• Synonyms: 4-piperidinyl(3-pyridinyl)methanol

Database IDs

• CAS Number: 884504-88-5
• MDL Number: MFCD05864583

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.1258626
• LogD (pH = 7.4): -2.3981152
• Log P: 0.15234964
• Molar Refractivity: 55.3616 cm^3
• Polarizability: 21.889679 Å^3
• Polar Surface Area: 45.15 Å^2