8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2,2-diphenylacetate hydrochloride

• ChemBase ID: 191834
• Molecular Formular: C22H26ClNO2
• Molecular Mass: 371.90034
• Monoisotopic Mass: 371.16520676
• SMILES: C(=O)(OC1CC2N(C(C1)CC2)C)C(c1ccccc1)c1ccccc1.Cl
• Canonical SMILES: CN1C2CCC1CC(C2)OC(=O)C(c1ccccc1)c1ccccc1.Cl
• InChI: InChI=1S/C22H25NO2.ClH/c1-23-18-12-13-19(23)15-20(14-18)25-22(24)21(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-21H,12-15H2,1H3;1H
• InChIKey: JUFVBYPDDWKLQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2,2-diphenylacetate hydrochloride
• IUPAC Traditional name: 8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2,2-diphenylacetate hydrochloride

Database IDs

• PubChem SID: 164247744
• PubChem CID: 2910907

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.63447356
• LogD (pH = 7.4): 2.008831
• Log P: 3.9858162
• Molar Refractivity: 99.1367 cm^3
• Polarizability: 39.190945 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Derivatives & analogs of Natural Compounds