({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)(oxolan-2-ylmethyl)(pyridin-2-ylmethyl)amine

• ChemBase ID: 352243
• Molecular Formular: C24H32FN3O
• Molecular Mass: 397.5287832
• Monoisotopic Mass: 397.25294088
• SMILES: N1(Cc2c(F)cccc2)CCC(CN(Cc2ncccc2)CC2OCCC2)CC1
• Canonical SMILES: Fc1ccccc1CN1CCC(CC1)CN(Cc1ccccn1)CC1CCCO1
• InChI: InChI=1S/C24H32FN3O/c25-24-9-2-1-6-21(24)17-27-13-10-20(11-14-27)16-28(19-23-8-5-15-29-23)18-22-7-3-4-12-26-22/h1-4,6-7,9,12,20,23H,5,8,10-11,13-19H2
• InChIKey: YYHOCWSFGWTSMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)(oxolan-2-ylmethyl)(pyridin-2-ylmethyl)amine
• IUPAC Traditional name: ({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)(oxolan-2-ylmethyl)(pyridin-2-ylmethyl)amine
• Synonyms: 1-[1-(2-fluorobenzyl)-4-piperidinyl]-N-(2-pyridinylmethyl)-N-(tetrahydro-2-furanylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.4471407
• LogD (pH = 7.4): 1.9883902
• Log P: 3.551613
• Molar Refractivity: 115.2744 cm^3
• Polarizability: 44.89773 Å^3
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.77
• LOG S: -2.56
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 8