9-(3-phenylpropyl)-6-oxa-9-azaspiro[4.5]decane

• ChemBase ID: 863026
• Molecular Formular: C17H25NO
• Molecular Mass: 259.3865
• Monoisotopic Mass: 259.19361443
• SMILES: N1(CC2(OCC1)CCCC2)CCCc1ccccc1
• Canonical SMILES: c1ccc(cc1)CCCN1CCOC2(C1)CCCC2
• InChI: InChI=1S/C17H25NO/c1-2-7-16(8-3-1)9-6-12-18-13-14-19-17(15-18)10-4-5-11-17/h1-3,7-8H,4-6,9-15H2
• InChIKey: QPCIPYIRDAASAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(3-phenylpropyl)-6-oxa-9-azaspiro[4.5]decane
• IUPAC Traditional name: 9-(3-phenylpropyl)-6-oxa-9-azaspiro[4.5]decane
• Synonyms: 9-(3-phenylpropyl)-6-oxa-9-azaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1062295
• LogD (pH = 7.4): 2.8799
• Log P: 3.7078426
• Molar Refractivity: 79.334 cm^3
• Polarizability: 31.299814 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.69
• LOG S: -3.24
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 4