(1R,9aR)-1-[(pyridin-2-yloxy)methyl]-octahydro-1H-quinolizine

• ChemBase ID: 199963
• Molecular Formular: C15H22N2O
• Molecular Mass: 246.34798
• Monoisotopic Mass: 246.17321333
• SMILES: N12[C@@H]([C@H](COc3ncccc3)CCC1)CCCC2
• Canonical SMILES: C1CCN2[C@H](C1)[C@@H](CCC2)COc1ccccn1
• InChI: InChI=1S/C15H22N2O/c1-3-9-16-15(8-1)18-12-13-6-5-11-17-10-4-2-7-14(13)17/h1,3,8-9,13-14H,2,4-7,10-12H2/t13-,14+/m0/s1
• InChIKey: DHUKKIFFTZDUTP-UONOGXRCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,9aR)-1-[(pyridin-2-yloxy)methyl]-octahydro-1H-quinolizine
• IUPAC Traditional name: (1R,9aR)-1-[(pyridin-2-yloxy)methyl]-octahydro-1H-quinolizine

Database IDs

• PubChem SID: 164255873
• PubChem CID: 11870857

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.7023043
• LogD (pH = 7.4): 0.71147346
• Log P: 2.6314564
• Molar Refractivity: 72.6603 cm^3
• Polarizability: 28.600323 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds