3-(4-fluorophenoxy)piperidine hydrochloride

• ChemBase ID: 20879
• Molecular Formular: C11H15ClFNO
• Molecular Mass: 231.6943032
• Monoisotopic Mass: 231.08262001
• SMILES: N1CC(Oc2ccc(F)cc2)CCC1.Cl
• Canonical SMILES: Fc1ccc(cc1)OC1CCCNC1.Cl
• InChI: InChI=1S/C11H14FNO.ClH/c12-9-3-5-10(6-4-9)14-11-2-1-7-13-8-11;/h3-6,11,13H,1-2,7-8H2;1H
• InChIKey: OXORTCLBZJUWHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-fluorophenoxy)piperidine hydrochloride
• IUPAC Traditional name: 3-(4-fluorophenoxy)piperidine hydrochloride
• Synonyms: 3-(4-Fluorophenoxy)piperidine hydrochloride

Database IDs

• MDL Number: MFCD04117750
• PubChem SID: 160984186
• PubChem CID: 17749769

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1092206
• LogD (pH = 7.4): 0.0076976824
• Log P: 2.0594375
• Molar Refractivity: 52.6732 cm^3
• Polarizability: 20.665127 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