1-(9H-fluoren-2-ylmethyl)-3-(pyrrolidin-1-yl)pyrrolidine

• ChemBase ID: 820025
• Molecular Formular: C22H26N2
• Molecular Mass: 318.45524
• Monoisotopic Mass: 318.20959884
• SMILES: c12c(c3c(C1)cccc3)ccc(c2)CN1CC(N2CCCC2)CC1
• Canonical SMILES: C1CCN(C1)C1CCN(C1)Cc1ccc2c(c1)Cc1c2cccc1
• InChI: InChI=1S/C22H26N2/c1-2-6-21-18(5-1)14-19-13-17(7-8-22(19)21)15-23-12-9-20(16-23)24-10-3-4-11-24/h1-2,5-8,13,20H,3-4,9-12,14-16H2
• InChIKey: XBEPMQNVHRSOPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(9H-fluoren-2-ylmethyl)-3-(pyrrolidin-1-yl)pyrrolidine
• IUPAC Traditional name: 1-(9H-fluoren-2-ylmethyl)-3-(pyrrolidin-1-yl)pyrrolidine
• Synonyms: 1'-(9H-fluoren-2-ylmethyl)-1,3'-bipyrrolidine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.70931
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.21420705
• LogD (pH = 7.4): 1.5488456
• Log P: 4.05306
• Molar Refractivity: 101.5428 cm^3
• Polarizability: 40.635883 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.68
• LOG S: -4.77
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 3