3-phenyl-3,9-diazaspiro[5.5]undecane

• ChemBase ID: 797605
• Molecular Formular: C15H22N2
• Molecular Mass: 230.34858
• Monoisotopic Mass: 230.17829871
• SMILES: C1CN(CCC21CCNCC2)c1ccccc1
• Canonical SMILES: N1CCC2(CC1)CCN(CC2)c1ccccc1
• InChI: InChI=1S/C15H22N2/c1-2-4-14(5-3-1)17-12-8-15(9-13-17)6-10-16-11-7-15/h1-5,16H,6-13H2
• InChIKey: VNSLUHSUGLVNQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenyl-3,9-diazaspiro[5.5]undecane
• IUPAC Traditional name: 3-phenyl-3,9-diazaspiro[5.5]undecane
• Synonyms: 3-Phenyl-3,9-diazaspiro[5.5]undecane

Database IDs

• CAS Number: 959490-93-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.146828
• LogD (pH = 7.4): -0.38424823
• Log P: 2.3787777
• Molar Refractivity: 72.8825 cm^3
• Polarizability: 28.15096 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%