2-methyl-1-{1-[(2E)-2-methyl-3-phenylprop-2-en-1-yl]azetidin-3-yl}piperidine

• ChemBase ID: 444160
• Molecular Formular: C19H28N2
• Molecular Mass: 284.43902
• Monoisotopic Mass: 284.22524891
• SMILES: C1(N2C(C)CCCC2)CN(C1)C/C(=C/c1ccccc1)/C
• Canonical SMILES: C/C(=C\c1ccccc1)/CN1CC(C1)N1CCCCC1C
• InChI: InChI=1S/C19H28N2/c1-16(12-18-9-4-3-5-10-18)13-20-14-19(15-20)21-11-7-6-8-17(21)2/h3-5,9-10,12,17,19H,6-8,11,13-15H2,1-2H3/b16-12+
• InChIKey: OMPZPSCQSYZBIV-FOWTUZBSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-{1-[(2E)-2-methyl-3-phenylprop-2-en-1-yl]azetidin-3-yl}piperidine
• IUPAC Traditional name: 2-methyl-1-{1-[(2E)-2-methyl-3-phenylprop-2-en-1-yl]azetidin-3-yl}piperidine
• Synonyms: 2-methyl-1-{1-[(2E)-2-methyl-3-phenylprop-2-en-1-yl]azetidin-3-yl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.7492946
• LogD (pH = 7.4): 2.3515103
• Log P: 3.9417474
• Molar Refractivity: 91.4824 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: 3.18
• LOG S: -2.98
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4