2-{2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl}ethan-1-ol

• ChemBase ID: 330016
• Molecular Formular: C20H30N2O
• Molecular Mass: 314.465
• Monoisotopic Mass: 314.23581359
• SMILES: N1(C2CC2)CC(CC2(C1)CCN(CC2)CCO)c1ccccc1
• Canonical SMILES: OCCN1CCC2(CC1)CN(CC(C2)c1ccccc1)C1CC1
• InChI: InChI=1S/C20H30N2O/c23-13-12-21-10-8-20(9-11-21)14-18(17-4-2-1-3-5-17)15-22(16-20)19-6-7-19/h1-5,18-19,23H,6-16H2
• InChIKey: RPDBGXFTFUETRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl}ethan-1-ol
• IUPAC Traditional name: 2-{2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl}ethanol
• Synonyms: 2-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undec-9-yl)ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.593253
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.1161017
• LogD (pH = 7.4): -1.2824458
• Log P: 2.3008523
• Molar Refractivity: 95.5948 cm^3
• Polarizability: 37.544598 Å^3
• Polar Surface Area: 26.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.26
• LOG S: -3.27
• Polar Surface Area: 26.71 Å^2
• Rotatable Bonds: 4