4-(4-fluorophenyl)-3-methoxypiperidine

• ChemBase ID: 94252
• Molecular Formular: C12H16FNO
• Molecular Mass: 209.2599432
• Monoisotopic Mass: 209.12159236
• SMILES: N1CCC(c2ccc(cc2)F)C(C1)OC
• Canonical SMILES: COC1CNCCC1c1ccc(cc1)F
• InChI: InChI=1S/C12H16FNO/c1-15-12-8-14-7-6-11(12)9-2-4-10(13)5-3-9/h2-5,11-12,14H,6-8H2,1H3
• InChIKey: OJYYVIVMIWTFGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-fluorophenyl)-3-methoxypiperidine
• IUPAC Traditional name: 4-(4-fluorophenyl)-3-methoxypiperidine
• Synonyms: (3SR-4RS)-trans-4-(4-Fluorophenyl)-3-hydroxymethylpiperidine

Database IDs

• MDL Number: MFCD03839854
• PubChem SID: 162080907
• PubChem CID: 44717202

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2785332
• LogD (pH = 7.4): -0.06305674
• Log P: 1.8671893
• Molar Refractivity: 57.7311 cm^3
• Polarizability: 22.440151 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true