7-({4-[3-(morpholin-4-yl)propoxy]phenyl}methyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 340953
• Molecular Formular: C22H35N3O2
• Molecular Mass: 373.5322
• Monoisotopic Mass: 373.27292738
• SMILES: N1(CC2(CNCC2)CCC1)Cc1ccc(cc1)OCCCN1CCOCC1
• Canonical SMILES: O1CCN(CC1)CCCOc1ccc(cc1)CN1CCCC2(C1)CNCC2
• InChI: InChI=1S/C22H35N3O2/c1-7-22(8-9-23-18-22)19-25(10-1)17-20-3-5-21(6-4-20)27-14-2-11-24-12-15-26-16-13-24/h3-6,23H,1-2,7-19H2
• InChIKey: JWHXWVQLTUTWJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -5.127142
• LogD (pH = 7.4): -1.9462835
• Log P: 1.7818094
• Molar Refractivity: 110.5098 cm^3
• Polarizability: 43.56258 Å^3
• Polar Surface Area: 36.97 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.81
• LOG S: -2.46
• Polar Surface Area: 36.97 Å^2
• Rotatable Bonds: 7