7-benzyl-1,7-diazaspiro[4.4]nonane

• ChemBase ID: 799736
• Molecular Formular: C14H20N2
• Molecular Mass: 216.322
• Monoisotopic Mass: 216.16264865
• SMILES: N1CCCC21CN(CC2)Cc1ccccc1
• Canonical SMILES: c1ccc(cc1)CN1CCC2(C1)CCCN2
• InChI: InChI=1S/C14H20N2/c1-2-5-13(6-3-1)11-16-10-8-14(12-16)7-4-9-15-14/h1-3,5-6,15H,4,7-12H2
• InChIKey: RZOUQGOZESDBOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-benzyl-1,7-diazaspiro[4.4]nonane
• IUPAC Traditional name: 7-benzyl-1,7-diazaspiro[4.4]nonane
• Synonyms: 7-benzyl-1,7-diazaspiro[4.4]nonane

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8118303
• LogD (pH = 7.4): -1.3769552
• Log P: 1.8280072
• Molar Refractivity: 67.3223 cm^3
• Polarizability: 26.70416 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%