2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decane

• ChemBase ID: 845316
• Molecular Formular: C17H26N2
• Molecular Mass: 258.40174
• Monoisotopic Mass: 258.20959884
• SMILES: N1(CC2(CC1)CCNCC2)CCCc1ccccc1
• Canonical SMILES: N1CCC2(CC1)CCN(C2)CCCc1ccccc1
• InChI: InChI=1S/C17H26N2/c1-2-5-16(6-3-1)7-4-13-19-14-10-17(15-19)8-11-18-12-9-17/h1-3,5-6,18H,4,7-15H2
• InChIKey: LHPRONYAFGUAMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decane
• Synonyms: 2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.0526614
• LogD (pH = 7.4): -2.8810256
• Log P: 2.6566994
• Molar Refractivity: 81.5976 cm^3
• Polarizability: 32.167732 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.23
• LOG S: -2.84
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4