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

• ChemBase ID: 275825
• Molecular Formular: C14H20N2
• Molecular Mass: 216.322
• Monoisotopic Mass: 216.16264865
• SMILES: N1(C2(CCNC2)CCC1)Cc1ccccc1
• Canonical SMILES: c1ccc(cc1)CN1CCCC21CNCC2
• InChI: InChI=1S/C14H20N2/c1-2-5-13(6-3-1)11-16-10-4-7-14(16)8-9-15-12-14/h1-3,5-6,15H,4,7-12H2
• InChIKey: YIZAKHJUGTXWTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09056754
• PubChem SID: 164331735
• PubChem CID: 15634713

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0792344
• LogD (pH = 7.4): -1.4351534
• Log P: 1.8280072
• Molar Refractivity: 67.3223 cm^3
• Polarizability: 26.704157 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.185

Product Information

• Purity: 95%