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

• ChemBase ID: 21123
• Molecular Formular: C13H18FNO
• Molecular Mass: 223.2865232
• Monoisotopic Mass: 223.13724242
• SMILES: N1C(CCOc2ccc(F)cc2)CCCC1
• Canonical SMILES: Fc1ccc(cc1)OCCC1CCCCN1
• InChI: InChI=1S/C13H18FNO/c14-11-4-6-13(7-5-11)16-10-8-12-3-1-2-9-15-12/h4-7,12,15H,1-3,8-10H2
• InChIKey: JHYKGGGNELYUTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08687881
• PubChem SID: 160984430
• PubChem CID: 43149991

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6615687
• LogD (pH = 7.4): -0.06866617
• Log P: 2.563966
• Molar Refractivity: 62.1396 cm^3
• Polarizability: 24.342709 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