4-(5-fluoro-2-methoxyphenyl)piperidine

• ChemBase ID: 19459
• Molecular Formular: C12H16FNO
• Molecular Mass: 209.2599432
• Monoisotopic Mass: 209.12159236
• SMILES: c1(c(ccc(c1)F)OC)C1CCNCC1
• Canonical SMILES: COc1ccc(cc1C1CCNCC1)F
• InChI: InChI=1S/C12H16FNO/c1-15-12-3-2-10(13)8-11(12)9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3
• InChIKey: VSOZYVHMRRLERD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-fluoro-2-methoxyphenyl)piperidine
• IUPAC Traditional name: 4-(5-fluoro-2-methoxyphenyl)piperidine
• Synonyms: 4-(5-Fluoro-2-methoxyphenyl)piperidine

Database IDs

• CAS Number: 255893-55-1
• MDL Number: MFCD05189988
• PubChem SID: 160982766
• PubChem CID: 15512822

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1550475
• LogD (pH = 7.4): -0.44379723
• Log P: 2.0633414
• Molar Refractivity: 58.1586 cm^3
• Polarizability: 22.42665 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false