1-[1-(2-methoxyethyl)pyrrolidine-3-carbonyl]-4-phenyl-1,2,3,6-tetrahydropyridine

• ChemBase ID: 331623
• Molecular Formular: C19H26N2O2
• Molecular Mass: 314.42194
• Monoisotopic Mass: 314.19942808
• SMILES: C(=O)(C1CN(CC1)CCOC)N1CC=C(CC1)c1ccccc1
• Canonical SMILES: COCCN1CCC(C1)C(=O)N1CCC(=CC1)c1ccccc1
• InChI: InChI=1S/C19H26N2O2/c1-23-14-13-20-10-7-18(15-20)19(22)21-11-8-17(9-12-21)16-5-3-2-4-6-16/h2-6,8,18H,7,9-15H2,1H3
• InChIKey: GZSOVFSGQXFEFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(2-methoxyethyl)pyrrolidine-3-carbonyl]-4-phenyl-1,2,3,6-tetrahydropyridine
• IUPAC Traditional name: 1-[1-(2-methoxyethyl)pyrrolidine-3-carbonyl]-4-phenyl-3,6-dihydro-2H-pyridine
• Synonyms: 1-{[1-(2-methoxyethyl)pyrrolidin-3-yl]carbonyl}-4-phenyl-1,2,3,6-tetrahydropyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.5248955
• LogD (pH = 7.4): 0.012875536
• Log P: 1.7283034
• Molar Refractivity: 93.7557 cm^3
• Polarizability: 36.07406 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.16
• LOG S: -3.34
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5