1-[1-(3-phenylbutyl)azetidin-3-yl]piperidine

• ChemBase ID: 861107
• Molecular Formular: C18H28N2
• Molecular Mass: 272.42832
• Monoisotopic Mass: 272.22524891
• SMILES: C1(N2CCCCC2)CN(C1)CCC(c1ccccc1)C
• Canonical SMILES: CC(c1ccccc1)CCN1CC(C1)N1CCCCC1
• InChI: InChI=1S/C18H28N2/c1-16(17-8-4-2-5-9-17)10-13-19-14-18(15-19)20-11-6-3-7-12-20/h2,4-5,8-9,16,18H,3,6-7,10-15H2,1H3
• InChIKey: LGBXTUNIOBZSCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(3-phenylbutyl)azetidin-3-yl]piperidine
• IUPAC Traditional name: 1-[1-(3-phenylbutyl)azetidin-3-yl]piperidine
• Synonyms: 1-[1-(3-phenylbutyl)azetidin-3-yl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.52391946
• LogD (pH = 7.4): 2.1500406
• Log P: 3.6921444
• Molar Refractivity: 86.3676 cm^3
• Polarizability: 34.013744 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.18
• LOG S: -2.9
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 5