1-(2,2-diphenylethyl)-3-(pyrrolidin-1-yl)piperidine

• ChemBase ID: 673069
• Molecular Formular: C23H30N2
• Molecular Mass: 334.4977
• Monoisotopic Mass: 334.24089897
• SMILES: N1(CC(c2ccccc2)c2ccccc2)CC(N2CCCC2)CCC1
• Canonical SMILES: c1ccc(cc1)C(c1ccccc1)CN1CCCC(C1)N1CCCC1
• InChI: InChI=1S/C23H30N2/c1-3-10-20(11-4-1)23(21-12-5-2-6-13-21)19-24-15-9-14-22(18-24)25-16-7-8-17-25/h1-6,10-13,22-23H,7-9,14-19H2
• InChIKey: JQXJMNVNKBFOOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,2-diphenylethyl)-3-(pyrrolidin-1-yl)piperidine
• IUPAC Traditional name: 1-(2,2-diphenylethyl)-3-(pyrrolidin-1-yl)piperidine
• Synonyms: 1-(2,2-diphenylethyl)-3-(1-pyrrolidinyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.024466055
• LogD (pH = 7.4): 1.6546028
• Log P: 4.5920873
• Molar Refractivity: 106.6936 cm^3
• Polarizability: 41.804638 Å^3
• Polar Surface Area: 6.48 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: 3.98
• LOG S: -3.28
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 5