7-benzyl-2,7-diazaspiro[4.5]decane

• ChemBase ID: 271927
• Molecular Formular: C15H22N2
• Molecular Mass: 230.34858
• Monoisotopic Mass: 230.17829871
• SMILES: N1(CC2(CNCC2)CCC1)Cc1ccccc1
• Canonical SMILES: c1ccc(cc1)CN1CCCC2(C1)CNCC2
• InChI: InChI=1S/C15H22N2/c1-2-5-14(6-3-1)11-17-10-4-7-15(13-17)8-9-16-12-15/h1-3,5-6,16H,4,7-13H2
• InChIKey: OFLZQYXCNCHXGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-benzyl-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-benzyl-2,7-diazaspiro[4.5]decane
• Synonyms: 7-benzyl-2,7-diazaspiro[4.5]decane

Database IDs

• CAS Number: 1086395-18-7
• MDL Number: MFCD11223490
• PubChem SID: 164327837
• PubChem CID: 46911906

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.7017848
• LogD (pH = 7.4): -1.8351309
• Log P: 2.079377
• Molar Refractivity: 72.0876 cm^3
• Polarizability: 28.551031 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.557

Product Information

• Purity: 95%; 95+%