3-[2-(4-fluorophenoxy)ethyl]piperidine

• ChemBase ID: 21140
• Molecular Formular: C13H18FNO
• Molecular Mass: 223.2865232
• Monoisotopic Mass: 223.13724242
• SMILES: N1CC(CCOc2ccc(F)cc2)CCC1
• Canonical SMILES: Fc1ccc(cc1)OCCC1CCCNC1
• InChI: InChI=1S/C13H18FNO/c14-12-3-5-13(6-4-12)16-9-7-11-2-1-8-15-10-11/h3-6,11,15H,1-2,7-10H2
• InChIKey: KIRUVZYDYPXBHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(4-fluorophenoxy)ethyl]piperidine
• IUPAC Traditional name: 3-[2-(4-fluorophenoxy)ethyl]piperidine
• Synonyms: 3-[2-(4-Fluorophenoxy)ethyl]piperidine

Database IDs

• MDL Number: MFCD08687883
• PubChem SID: 160984447
• PubChem CID: 45075556

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7271181
• LogD (pH = 7.4): -0.351068
• Log P: 2.507204
• Molar Refractivity: 62.313 cm^3
• Polarizability: 24.34271 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false