2-(3-fluorophenyl)-1-(furan-2-ylmethyl)piperidine

• ChemBase ID: 632588
• Molecular Formular: C16H18FNO
• Molecular Mass: 259.3186232
• Monoisotopic Mass: 259.13724242
• SMILES: N1(C(c2cc(F)ccc2)CCCC1)Cc1occc1
• Canonical SMILES: Fc1cccc(c1)C1CCCCN1Cc1ccco1
• InChI: InChI=1S/C16H18FNO/c17-14-6-3-5-13(11-14)16-8-1-2-9-18(16)12-15-7-4-10-19-15/h3-7,10-11,16H,1-2,8-9,12H2
• InChIKey: ZACYBJMJENXKQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-fluorophenyl)-1-(furan-2-ylmethyl)piperidine
• IUPAC Traditional name: 2-(3-fluorophenyl)-1-(furan-2-ylmethyl)piperidine
• Synonyms: 2-(3-fluorophenyl)-1-(2-furylmethyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3516232
• LogD (pH = 7.4): 3.1067083
• Log P: 3.7521975
• Molar Refractivity: 73.6328 cm^3
• Polarizability: 28.27502 Å^3
• Polar Surface Area: 16.38 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: 3.4
• LOG S: -2.99
• Polar Surface Area: 16.38 Å^2
• Rotatable Bonds: 3