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

• ChemBase ID: 21154
• Molecular Formular: C13H18FNO
• Molecular Mass: 223.2865232
• Monoisotopic Mass: 223.13724242
• SMILES: N1CCC(CCOc2cc(F)ccc2)CC1
• Canonical SMILES: Fc1cccc(c1)OCCC1CCNCC1
• InChI: InChI=1S/C13H18FNO/c14-12-2-1-3-13(10-12)16-9-6-11-4-7-15-8-5-11/h1-3,10-11,15H,4-9H2
• InChIKey: UKFPJBYUNYBLJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08687884
• PubChem SID: 160984461
• PubChem CID: 26192448

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8023354
• LogD (pH = 7.4): -0.34594542
• Log P: 2.4292505
• Molar Refractivity: 62.39 cm^3
• Polarizability: 24.342884 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