{1-[1-(9H-fluoren-2-ylmethyl)piperidin-3-yl]piperidin-4-yl}methanol

• ChemBase ID: 513829
• Molecular Formular: C25H32N2O
• Molecular Mass: 376.53438
• Monoisotopic Mass: 376.25146365
• SMILES: c12c(c3c(C1)cccc3)ccc(c2)CN1CC(N2CCC(CC2)CO)CCC1
• Canonical SMILES: OCC1CCN(CC1)C1CCCN(C1)Cc1ccc2c(c1)Cc1c2cccc1
• InChI: InChI=1S/C25H32N2O/c28-18-19-9-12-27(13-10-19)23-5-3-11-26(17-23)16-20-7-8-25-22(14-20)15-21-4-1-2-6-24(21)25/h1-2,4,6-8,14,19,23,28H,3,5,9-13,15-18H2
• InChIKey: JCJHDNPOAMJSEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[1-(9H-fluoren-2-ylmethyl)piperidin-3-yl]piperidin-4-yl}methanol
• IUPAC Traditional name: {1-[1-(9H-fluoren-2-ylmethyl)piperidin-3-yl]piperidin-4-yl}methanol
• Synonyms: [1'-(9H-fluoren-2-ylmethyl)-1,3'-bipiperidin-4-yl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.46471
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.05214581
• LogD (pH = 7.4): 1.6057523
• Log P: 3.9432855
• Molar Refractivity: 117.1887 cm^3
• Polarizability: 46.727886 Å^3
• Polar Surface Area: 26.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.08
• LOG S: -3.97
• Polar Surface Area: 26.71 Å^2
• Rotatable Bonds: 4