3-(2-fluorophenoxy)piperidine hydrochloride

• ChemBase ID: 20845
• Molecular Formular: C11H15ClFNO
• Molecular Mass: 231.6943032
• Monoisotopic Mass: 231.08262001
• SMILES: c1(OC2CNCCC2)c(F)cccc1.Cl
• Canonical SMILES: Fc1ccccc1OC1CCCNC1.Cl
• InChI: InChI=1S/C11H14FNO.ClH/c12-10-5-1-2-6-11(10)14-9-4-3-7-13-8-9;/h1-2,5-6,9,13H,3-4,7-8H2;1H
• InChIKey: MXLIXTWBZSBJST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-fluorophenoxy)piperidine hydrochloride
• IUPAC Traditional name: 3-(2-fluorophenoxy)piperidine hydrochloride
• Synonyms: 3-(2-Fluorophenoxy)piperidine hydrochloride

Database IDs

• MDL Number: MFCD09879207
• PubChem SID: 160984152
• PubChem CID: 45075382

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0971448
• LogD (pH = 7.4): 0.07516242
• Log P: 2.0594375
• Molar Refractivity: 52.6732 cm^3
• Polarizability: 20.665636 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