8'-phenyl-3',6'-diazaspiro[oxirane-2,9'-tricyclo[4.3.1.13,8]undecane]

• ChemBase ID: 188454
• Molecular Formular: C16H20N2O
• Molecular Mass: 256.3428
• Monoisotopic Mass: 256.15756327
• SMILES: C12(C3(CN4CC1CN(C3)CC4)c1ccccc1)OC2
• Canonical SMILES: c1ccc(cc1)C12CN3CCN(C1)CC(C12CO1)C3
• InChI: InChI=1S/C16H20N2O/c1-2-4-13(5-3-1)15-10-17-6-7-18(11-15)9-14(8-17)16(15)12-19-16/h1-5,14H,6-12H2
• InChIKey: ULGUVIDWOCPAGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8'-phenyl-3',6'-diazaspiro[oxirane-2,9'-tricyclo[4.3.1.1^3,^8]undecane]
• IUPAC Traditional name: 8'-phenyl-3',6'-diazaspiro[oxirane-2,9'-tricyclo[4.3.1.1^3,^8]undecane]

Database IDs

• PubChem SID: 164244364
• PubChem CID: 620562

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.2193053
• LogD (pH = 7.4): -0.597823
• Log P: 1.0878301
• Molar Refractivity: 74.494 cm^3
• Polarizability: 29.49895 Å^3
• Polar Surface Area: 19.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds