(5s,7s)-5,7-dimethyl-2-(pyridin-3-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol

• ChemBase ID: 182913
• Molecular Formular: C15H21N3O
• Molecular Mass: 259.34674
• Monoisotopic Mass: 259.16846231
• SMILES: [C@]12(C([C@@]3(CN(C(N(C1)C3)c1cnccc1)C2)C)O)C
• Canonical SMILES: OC1[C@]2(C)CN3C[C@@]1(C)CN(C2)C3c1cccnc1
• InChI: InChI=1S/C15H21N3O/c1-14-7-17-9-15(2,13(14)19)10-18(8-14)12(17)11-4-3-5-16-6-11/h3-6,12-13,19H,7-10H2,1-2H3/t12?,13?,14-,15+
• InChIKey: AMZZWDKULANGOF-ZMYVRHLSSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164238823
• PubChem CID: 2862983

CALCULATED PROPERTIES

• Acid pKa: 14.169678
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.47411215
• LogD (pH = 7.4): 0.7729967
• Log P: 0.77851444
• Molar Refractivity: 73.4702 cm^3
• Polarizability: 29.325256 Å^3
• Polar Surface Area: 39.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds