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

• ChemBase ID: 209537
• Molecular Formular: C18H26N2O
• Molecular Mass: 286.41184
• Monoisotopic Mass: 286.20451346
• SMILES: [C@]12(C([C@@]3(CN(C(N(C3)C1)c1ccccc1)C2)CC)O)CC
• Canonical SMILES: CC[C@]12CN3C[C@@](C2O)(CN(C1)C3c1ccccc1)CC
• InChI: InChI=1S/C18H26N2O/c1-3-17-10-19-12-18(4-2,16(17)21)13-20(11-17)15(19)14-8-6-5-7-9-14/h5-9,15-16,21H,3-4,10-13H2,1-2H3/t15?,16?,17-,18+
• InChIKey: JWZQZUNZFNTSTB-OWCVQMPJSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164265447
• PubChem CID: 1786892

CALCULATED PROPERTIES

• Acid pKa: 14.153653
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8131458
• LogD (pH = 7.4): 2.8299081
• Log P: 2.8853242
• Molar Refractivity: 84.8291 cm^3
• Polarizability: 33.92815 Å^3
• Polar Surface Area: 26.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds