(5'S,7'R)-1-benzyl-5',7'-diethyl-1',3'-diazaspiro[piperidine-4,2'-tricyclo[3.3.1.13,7]decane]-6'-ol

• ChemBase ID: 219809
• Molecular Formular: C23H35N3O
• Molecular Mass: 369.5435
• Monoisotopic Mass: 369.27801276
• SMILES: C12(N3C[C@@]4(C([C@](C3)(CN1C4)CC)O)CC)CCN(CC2)Cc1ccccc1
• Canonical SMILES: CC[C@]12CN3C[C@@](C2O)(CN(C1)C13CCN(CC1)Cc1ccccc1)CC
• InChI: InChI=1S/C23H35N3O/c1-3-21-15-25-17-22(4-2,20(21)27)18-26(16-21)23(25)10-12-24(13-11-23)14-19-8-6-5-7-9-19/h5-9,20,27H,3-4,10-18H2,1-2H3/t20?,21-,22+
• InChIKey: RRDYGMGCYBODDD-FRIKZZABSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5'S,7'R)-1-benzyl-5',7'-diethyl-1',3'-diazaspiro[piperidine-4,2'-tricyclo[3.3.1.1^3,^7]decane]-6'-ol
• IUPAC Traditional name: (5'R,7'S)-1-benzyl-5',7'-diethyl-1',3'-diazaspiro[piperidine-4,2'-tricyclo[3.3.1.1^3,^7]decane]-6'-ol

Database IDs

• PubChem SID: 164275719
• PubChem CID: 17571695

CALCULATED PROPERTIES

• Acid pKa: 14.153661
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.16640547
• LogD (pH = 7.4): 2.3077087
• Log P: 3.507357
• Molar Refractivity: 109.8904 cm^3
• Polarizability: 43.944374 Å^3
• Polar Surface Area: 29.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: 2 Stereoisomers
• Classification: Derivatives & analogs of Natural Compounds