(9R)-2-(piperidin-1-yl)bicyclo[3.3.1]nonan-9-ol

• ChemBase ID: 183275
• Molecular Formular: C14H25NO
• Molecular Mass: 223.3544
• Monoisotopic Mass: 223.19361443
• SMILES: C12C(N3CCCCC3)CCC([C@H]1O)CCC2
• Canonical SMILES: O[C@@H]1C2CCCC1C(CC2)N1CCCCC1
• InChI: InChI=1S/C14H25NO/c16-14-11-5-4-6-12(14)13(8-7-11)15-9-2-1-3-10-15/h11-14,16H,1-10H2/t11?,12?,13?,14-/m1/s1
• InChIKey: JFIGMNBDLSGWHQ-SLDMJWGPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9R)-2-(piperidin-1-yl)bicyclo[3.3.1]nonan-9-ol
• IUPAC Traditional name: (9R)-2-(piperidin-1-yl)bicyclo[3.3.1]nonan-9-ol

Database IDs

• PubChem SID: 164239185
• PubChem CID: 16395657

CALCULATED PROPERTIES

• Acid pKa: 14.646907
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2828422
• LogD (pH = 7.4): -0.7601427
• Log P: 2.2054327
• Molar Refractivity: 66.457 cm^3
• Polarizability: 26.479994 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds