4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine

• ChemBase ID: 121374
• Molecular Formular: C11H12FN
• Molecular Mass: 177.2180832
• Monoisotopic Mass: 177.09537761
• SMILES: C1(=CCNCC1)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)C1=CCNCC1
• InChI: InChI=1S/C11H12FN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5,13H,6-8H2
• InChIKey: MVXXCFMHLWEWHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine
• IUPAC Traditional name: 4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine
• Synonyms: 4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine

Database IDs

• PubChem SID: 162215727
• PubChem CID: 197748

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.075072
• LogD (pH = 7.4): -0.051140852
• Log P: 2.110074
• Molar Refractivity: 52.3914 cm^3
• Polarizability: 19.81231 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true