1-[(2E)-2-methyl-3-phenylprop-2-en-1-yl]-3-(pyrrolidin-1-yl)piperidine

• ChemBase ID: 560607
• Molecular Formular: C19H28N2
• Molecular Mass: 284.43902
• Monoisotopic Mass: 284.22524891
• SMILES: N1(CC(N2CCCC2)CCC1)C/C(=C/c1ccccc1)/C
• Canonical SMILES: C/C(=C\c1ccccc1)/CN1CCCC(C1)N1CCCC1
• InChI: InChI=1S/C19H28N2/c1-17(14-18-8-3-2-4-9-18)15-20-11-7-10-19(16-20)21-12-5-6-13-21/h2-4,8-9,14,19H,5-7,10-13,15-16H2,1H3/b17-14+
• InChIKey: FIYRPYAROMYNMQ-SAPNQHFASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2E)-2-methyl-3-phenylprop-2-en-1-yl]-3-(pyrrolidin-1-yl)piperidine
• IUPAC Traditional name: 1-[(2E)-2-methyl-3-phenylprop-2-en-1-yl]-3-(pyrrolidin-1-yl)piperidine
• Synonyms: 1-[(2E)-2-methyl-3-phenyl-2-propen-1-yl]-3-(1-pyrrolidinyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.23752195
• LogD (pH = 7.4): 1.0243026
• Log P: 3.657926
• Molar Refractivity: 91.9726 cm^3
• Polarizability: 35.786858 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.56
• LOG S: -2.17
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4