9-cyclopropyl-3-phenyl-9-azabicyclo[3.3.1]nonan-3-ol

• ChemBase ID: 281630
• Molecular Formular: C17H23NO
• Molecular Mass: 257.37062
• Monoisotopic Mass: 257.17796436
• SMILES: N1(C2CC(CC1CCC2)(c1ccccc1)O)C1CC1
• Canonical SMILES: OC1(CC2CCCC(C1)N2C1CC1)c1ccccc1
• InChI: InChI=1S/C17H23NO/c19-17(13-5-2-1-3-6-13)11-15-7-4-8-16(12-17)18(15)14-9-10-14/h1-3,5-6,14-16,19H,4,7-12H2
• InChIKey: GRYADOFCKSRGSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-cyclopropyl-3-phenyl-9-azabicyclo[3.3.1]nonan-3-ol
• IUPAC Traditional name: 9-cyclopropyl-3-phenyl-9-azabicyclo[3.3.1]nonan-3-ol
• Synonyms: 9-cyclopropyl-3-phenyl-9-azabicyclo[3.3.1]nonan-3-ol

Database IDs

• MDL Number: MFCD13196441
• PubChem SID: 180667161
• PubChem CID: 45792740

CALCULATED PROPERTIES

• Acid pKa: 13.980626
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.66185665
• LogD (pH = 7.4): 0.87519014
• Log P: 2.5919356
• Molar Refractivity: 76.9082 cm^3
• Polarizability: 30.560127 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.349

Product Information

• Purity: 95%