4-(2-fluorophenyl)piperidine hydrochloride

• ChemBase ID: 19445
• Molecular Formular: C11H15ClFN
• Molecular Mass: 215.6949032
• Monoisotopic Mass: 215.08770539
• SMILES: c1(c(F)cccc1)C1CCNCC1.Cl
• Canonical SMILES: Fc1ccccc1C1CCNCC1.Cl
• InChI: InChI=1S/C11H14FN.ClH/c12-11-4-2-1-3-10(11)9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2;1H
• InChIKey: RNFNKGDUMUFRIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-fluorophenyl)piperidine hydrochloride
• IUPAC Traditional name: 4-(2-fluorophenyl)piperidine hydrochloride
• Synonyms: 4-(2-Fluorophenyl)piperidine hydrochloride

Database IDs

• CAS Number: 691875-81-7
• MDL Number: MFCD02178902
• PubChem SID: 160982752
• PubChem CID: 21936944

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9969997
• LogD (pH = 7.4): -0.2803747
• Log P: 2.2210126
• Molar Refractivity: 51.6954 cm^3
• Polarizability: 19.904125 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189 - 191°C
• Hydrophobicity(logP): 2.486

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%