1-(naphthalen-2-yl)-4-(oxane-4-carbonyl)piperazine

• ChemBase ID: 865687
• Molecular Formular: C20H24N2O2
• Molecular Mass: 324.41676
• Monoisotopic Mass: 324.18377802
• SMILES: N1(C(=O)C2CCOCC2)CCN(c2cc3c(cc2)cccc3)CC1
• Canonical SMILES: O=C(N1CCN(CC1)c1ccc2c(c1)cccc2)C1CCOCC1
• InChI: InChI=1S/C20H24N2O2/c23-20(17-7-13-24-14-8-17)22-11-9-21(10-12-22)19-6-5-16-3-1-2-4-18(16)15-19/h1-6,15,17H,7-14H2
• InChIKey: SBTHZSAOXOCGPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(naphthalen-2-yl)-4-(oxane-4-carbonyl)piperazine
• IUPAC Traditional name: 1-(naphthalen-2-yl)-4-(oxane-4-carbonyl)piperazine
• Synonyms: 1-(2-naphthyl)-4-(tetrahydro-2H-pyran-4-ylcarbonyl)piperazine

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5619457
• LogD (pH = 7.4): 2.5657375
• Log P: 2.5657861
• Molar Refractivity: 96.0088 cm^3
• Polarizability: 37.844284 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 2
• H Acceptors: 2
• H Donor: 0
• Log P: 2.32
• LOG S: -3.55