4-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-1,8-dioxa-4,11-diazaspiro[5.6]dodecane

• ChemBase ID: 855392
• Molecular Formular: C17H33N3O3
• Molecular Mass: 327.46222
• Monoisotopic Mass: 327.25219193
• SMILES: C12(OCCN(C1)CC1CCN(CC1)CCOC)CNCCOC2
• Canonical SMILES: COCCN1CCC(CC1)CN1CCOC2(C1)CNCCOC2
• InChI: InChI=1S/C17H33N3O3/c1-21-10-7-19-5-2-16(3-6-19)12-20-8-11-23-17(14-20)13-18-4-9-22-15-17/h16,18H,2-15H2,1H3
• InChIKey: YWAKOEZURCKWEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-1,8-dioxa-4,11-diazaspiro[5.6]dodecane
• IUPAC Traditional name: 4-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-1,8-dioxa-4,11-diazaspiro[5.6]dodecane
• Synonyms: 4-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-1,8-dioxa-4,11-diazaspiro[5.6]dodecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -7.7284203
• LogD (pH = 7.4): -3.740508
• Log P: -0.1872677
• Molar Refractivity: 91.7339 cm^3
• Polarizability: 36.513027 Å^3
• Polar Surface Area: 46.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.86
• LOG S: -1.31
• Polar Surface Area: 46.2 Å^2
• Rotatable Bonds: 5