4-(2-fluorophenoxy)-1-{[5-(oxolan-2-yl)thiophen-2-yl]methyl}piperidine

• ChemBase ID: 833312
• Molecular Formular: C20H24FNO2S
• Molecular Mass: 361.4734632
• Monoisotopic Mass: 361.15117823
• SMILES: s1c(ccc1CN1CCC(Oc2c(F)cccc2)CC1)C1OCCC1
• Canonical SMILES: Fc1ccccc1OC1CCN(CC1)Cc1ccc(s1)C1CCCO1
• InChI: InChI=1S/C20H24FNO2S/c21-17-4-1-2-5-18(17)24-15-9-11-22(12-10-15)14-16-7-8-20(25-16)19-6-3-13-23-19/h1-2,4-5,7-8,15,19H,3,6,9-14H2
• InChIKey: CSCQZRLJGPTLRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-fluorophenoxy)-1-{[5-(oxolan-2-yl)thiophen-2-yl]methyl}piperidine
• IUPAC Traditional name: 4-(2-fluorophenoxy)-1-{[5-(oxolan-2-yl)thiophen-2-yl]methyl}piperidine
• Synonyms: 4-(2-fluorophenoxy)-1-{[5-(tetrahydrofuran-2-yl)-2-thienyl]methyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6416211
• LogD (pH = 7.4): 3.4042804
• Log P: 4.0962176
• Molar Refractivity: 98.2536 cm^3
• Polarizability: 38.088417 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.58
• LOG S: -3.88
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 5