9-benzyl-6,9-diazaspiro[4.5]decane

• ChemBase ID: 116973
• Molecular Formular: C15H22N2
• Molecular Mass: 230.34858
• Monoisotopic Mass: 230.17829871
• SMILES: N1(CC2(NCC1)CCCC2)Cc1ccccc1
• Canonical SMILES: c1ccc(cc1)CN1CCNC2(C1)CCCC2
• InChI: InChI=1S/C15H22N2/c1-2-6-14(7-3-1)12-17-11-10-16-15(13-17)8-4-5-9-15/h1-3,6-7,16H,4-5,8-13H2
• InChIKey: KHJUEFXVUZMIBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-benzyl-6,9-diazaspiro[4.5]decane
• IUPAC Traditional name: 9-benzyl-6,9-diazaspiro[4.5]decane
• Synonyms: 9-benzyl-6,9-diazaspiro[4.5]decane

Database IDs

• MDL Number: MFCD20427291
• PubChem SID: 162101901
• PubChem CID: 52416415

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0025952
• LogD (pH = 7.4): 0.23734668
• Log P: 2.6571848
• Molar Refractivity: 71.6589 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

• Partition Coefficient: 2.815

Product Information

• Purity: 95+%