9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecane

• ChemBase ID: 823275
• Molecular Formular: C17H25NO
• Molecular Mass: 259.3865
• Monoisotopic Mass: 259.19361443
• SMILES: N1(CCc2ccccc2)CCC2(CC1)CCOCC2
• Canonical SMILES: O1CCC2(CC1)CCN(CC2)CCc1ccccc1
• InChI: InChI=1S/C17H25NO/c1-2-4-16(5-3-1)6-11-18-12-7-17(8-13-18)9-14-19-15-10-17/h1-5H,6-15H2
• InChIKey: IGHDAAKNUWNYKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecane
• IUPAC Traditional name: 9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecane
• Synonyms: 9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.60129565
• LogD (pH = 7.4): 0.55727935
• Log P: 2.81822
• Molar Refractivity: 80.0707 cm^3
• Polarizability: 31.299026 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.86
• LOG S: -2.53
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 3