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

• ChemBase ID: 398898
• Molecular Formular: C21H33N3O2
• Molecular Mass: 359.50562
• Monoisotopic Mass: 359.25727731
• SMILES: N1(CC2(CNCC2)CCC1)Cc1cc(OCCN2CCOCC2)ccc1
• Canonical SMILES: O1CCN(CC1)CCOc1cccc(c1)CN1CCCC2(C1)CNCC2
• InChI: InChI=1S/C21H33N3O2/c1-3-19(16-24-8-2-5-21(18-24)6-7-22-17-21)15-20(4-1)26-14-11-23-9-12-25-13-10-23/h1,3-4,15,22H,2,5-14,16-18H2
• InChIKey: IAJNNFGRJVLORK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -4.7425795
• LogD (pH = 7.4): -1.8782228
• Log P: 1.7218498
• Molar Refractivity: 105.6444 cm^3
• Polarizability: 41.718327 Å^3
• Polar Surface Area: 36.97 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.38
• LOG S: -1.99
• Polar Surface Area: 36.97 Å^2
• Rotatable Bonds: 6