(5s,7s)-2,2,5-trimethyl-7-phenyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol

• ChemBase ID: 222628
• Molecular Formular: C17H24N2O
• Molecular Mass: 272.38526
• Monoisotopic Mass: 272.1888634
• SMILES: [C@]12(C([C@@]3(CN(C(N(C1)C3)(C)C)C2)C)O)c1ccccc1
• Canonical SMILES: OC1[C@]2(C)CN3C[C@]1(CN(C2)C3(C)C)c1ccccc1
• InChI: InChI=1S/C17H24N2O/c1-15(2)18-9-16(3)10-19(15)12-17(11-18,14(16)20)13-7-5-4-6-8-13/h4-8,14,20H,9-12H2,1-3H3/t14?,16-,17+
• InChIKey: UIXHPYQGCZKIDW-ZXFUBFMLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5s,7s)-2,2,5-trimethyl-7-phenyl-1,3-diazatricyclo[3.3.1.1^3,^7]decan-6-ol
• IUPAC Traditional name: (1R,5S,7R)-2,2,5-trimethyl-7-phenyl-1,3-diazatricyclo[3.3.1.1^3,^7]decan-6-ol

Database IDs

• PubChem SID: 164278538
• PubChem CID: 42649052

CALCULATED PROPERTIES

• Acid pKa: 14.064921
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.71178603
• LogD (pH = 7.4): 1.6255618
• Log P: 1.6673362
• Molar Refractivity: 81.0455 cm^3
• Polarizability: 32.004684 Å^3
• Polar Surface Area: 26.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds