2-{[4-methoxy-3-(methoxymethyl)phenyl]methyl}-2,7-diazaspiro[4.5]decane

• ChemBase ID: 435900
• Molecular Formular: C18H28N2O2
• Molecular Mass: 304.42712
• Monoisotopic Mass: 304.21507815
• SMILES: N1(CC2(CC1)CNCCC2)Cc1cc(c(cc1)OC)COC
• Canonical SMILES: COCc1cc(ccc1OC)CN1CCC2(C1)CCCNC2
• InChI: InChI=1S/C18H28N2O2/c1-21-12-16-10-15(4-5-17(16)22-2)11-20-9-7-18(14-20)6-3-8-19-13-18/h4-5,10,19H,3,6-9,11-14H2,1-2H3
• InChIKey: HMPZOYMKRKOKBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[4-methoxy-3-(methoxymethyl)phenyl]methyl}-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-{[4-methoxy-3-(methoxymethyl)phenyl]methyl}-2,7-diazaspiro[4.5]decane
• Synonyms: 2-[4-methoxy-3-(methoxymethyl)benzyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 1.94
• LOG S: -2.07
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 1

JChem

• Molar Refractivity: 90.1179 cm^3
• Polarizability: 35.388123 Å^3
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.4110565
• LogD (pH = 7.4): -1.3171349
• Log P: 1.7974824