1-(furan-3-carbonyl)-2,2-bis(prop-2-en-1-yl)piperidine

• ChemBase ID: 572555
• Molecular Formular: C16H21NO2
• Molecular Mass: 259.34344
• Monoisotopic Mass: 259.15722892
• SMILES: C(=O)(N1C(CC=C)(CC=C)CCCC1)c1cocc1
• Canonical SMILES: C=CCC1(CC=C)CCCCN1C(=O)c1cocc1
• InChI: InChI=1S/C16H21NO2/c1-3-8-16(9-4-2)10-5-6-11-17(16)15(18)14-7-12-19-13-14/h3-4,7,12-13H,1-2,5-6,8-11H2
• InChIKey: TUNBNNSGWWITED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-3-carbonyl)-2,2-bis(prop-2-en-1-yl)piperidine
• IUPAC Traditional name: 1-(furan-3-carbonyl)-2,2-bis(prop-2-en-1-yl)piperidine
• Synonyms: 2,2-diallyl-1-(3-furoyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2852077
• LogD (pH = 7.4): 3.2852077
• Log P: 3.2852077
• Molar Refractivity: 76.9804 cm^3
• Polarizability: 29.071697 Å^3
• Polar Surface Area: 33.45 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: 3.16
• LOG S: -3.79
• Polar Surface Area: 33.45 Å^2
• Rotatable Bonds: 5