2-(2-{1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl}ethoxy)ethan-1-ol

• ChemBase ID: 689407
• Molecular Formular: C19H30N2O2
• Molecular Mass: 318.4537
• Monoisotopic Mass: 318.23072821
• SMILES: C12(N(CC(C1)c1ccccc1)C)CCN(CC2)CCOCCO
• Canonical SMILES: OCCOCCN1CCC2(CC1)CC(CN2C)c1ccccc1
• InChI: InChI=1S/C19H30N2O2/c1-20-16-18(17-5-3-2-4-6-17)15-19(20)7-9-21(10-8-19)11-13-23-14-12-22/h2-6,18,22H,7-16H2,1H3
• InChIKey: MXIUOMXZWVDEAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-{1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl}ethoxy)ethan-1-ol
• IUPAC Traditional name: 2-(2-{1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl}ethoxy)ethanol
• Synonyms: 2-[2-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]dec-8-yl)ethoxy]ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.121236
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.8649383
• LogD (pH = 7.4): -1.7724483
• Log P: 1.308241
• Molar Refractivity: 94.7722 cm^3
• Polarizability: 37.10559 Å^3
• Polar Surface Area: 35.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.74
• LOG S: -2.0
• Polar Surface Area: 35.94 Å^2
• Rotatable Bonds: 6