1-[2,2-bis(prop-2-en-1-yl)piperidin-1-yl]-3-methoxypropan-1-one

• ChemBase ID: 847931
• Molecular Formular: C15H25NO2
• Molecular Mass: 251.3645
• Monoisotopic Mass: 251.18852905
• SMILES: N1(C(=O)CCOC)C(CC=C)(CC=C)CCCC1
• Canonical SMILES: COCCC(=O)N1CCCCC1(CC=C)CC=C
• InChI: InChI=1S/C15H25NO2/c1-4-9-15(10-5-2)11-6-7-12-16(15)14(17)8-13-18-3/h4-5H,1-2,6-13H2,3H3
• InChIKey: AFRSMHFGJGATHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2,2-bis(prop-2-en-1-yl)piperidin-1-yl]-3-methoxypropan-1-one
• IUPAC Traditional name: 1-[2,2-bis(prop-2-en-1-yl)piperidin-1-yl]-3-methoxypropan-1-one
• Synonyms: 2,2-diallyl-1-(3-methoxypropanoyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.353678
• LogD (pH = 7.4): 2.353679
• Log P: 2.353679
• Molar Refractivity: 74.9493 cm^3
• Polarizability: 29.046444 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.69
• LOG S: -3.33
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7