(5'r,7'r)-1-benzyl-5',7'-dimethyl-1',3'-diazaspiro[piperidine-4,2'-tricyclo[3.3.1.13,7]decane]

• ChemBase ID: 220403
• Molecular Formular: C21H31N3
• Molecular Mass: 325.49094
• Monoisotopic Mass: 325.25179801
• SMILES: C12(N3C[C@]4(CN1C[C@@](C3)(C4)C)C)CCN(CC2)Cc1ccccc1
• Canonical SMILES: C[C@]12CN3C[C@@](C2)(CN(C1)C13CCN(CC1)Cc1ccccc1)C
• InChI: InChI=1S/C21H31N3/c1-19-13-20(2)16-23(14-19)21(24(15-19)17-20)8-10-22(11-9-21)12-18-6-4-3-5-7-18/h3-7H,8-17H2,1-2H3/t19-,20+
• InChIKey: MAZURRJXODDPDG-BGYRXZFFSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164276313
• PubChem CID: 17572215

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.13030668
• LogD (pH = 7.4): 1.8396136
• Log P: 3.6931233
• Molar Refractivity: 99.3269 cm^3
• Polarizability: 39.667427 Å^3
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds