7-[2-(benzyloxy)ethyl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 426792
• Molecular Formular: C17H26N2O
• Molecular Mass: 274.40114
• Monoisotopic Mass: 274.20451346
• SMILES: N1(CC2(CNCC2)CCC1)CCOCc1ccccc1
• Canonical SMILES: c1ccc(cc1)COCCN1CCCC2(C1)CNCC2
• InChI: InChI=1S/C17H26N2O/c1-2-5-16(6-3-1)13-20-12-11-19-10-4-7-17(15-19)8-9-18-14-17/h1-3,5-6,18H,4,7-15H2
• InChIKey: GVCGZCAFPLAPAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[2-(benzyloxy)ethyl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[2-(benzyloxy)ethyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 7-[2-(benzyloxy)ethyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4298759
• LogD (pH = 7.4): -1.6163414
• Log P: 2.0324013
• Molar Refractivity: 83.1311 cm^3
• Polarizability: 32.89539 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.2
• LOG S: -2.07
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 5