4-[2-(2-fluorophenyl)ethyl]piperidine hydrochloride

• ChemBase ID: 18878
• Molecular Formular: C13H19ClFN
• Molecular Mass: 243.7480632
• Monoisotopic Mass: 243.11900551
• SMILES: N1CCC(CCc2c(F)cccc2)CC1.Cl
• Canonical SMILES: Fc1ccccc1CCC1CCNCC1.Cl
• InChI: InChI=1S/C13H18FN.ClH/c14-13-4-2-1-3-12(13)6-5-11-7-9-15-10-8-11;/h1-4,11,15H,5-10H2;1H
• InChIKey: AVIWQWKMXGTSKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(2-fluorophenyl)ethyl]piperidine hydrochloride
• IUPAC Traditional name: 4-[2-(2-fluorophenyl)ethyl]piperidine hydrochloride
• Synonyms: 4-[2-(2-Fluoro-phenyl)-ethyl]-piperidine hydrochloride

Database IDs

• MDL Number: MFCD08448120
• PubChem SID: 160982185
• PubChem CID: 22248464

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.12143816
• LogD (pH = 7.4): 0.33488747
• Log P: 3.11015
• Molar Refractivity: 60.8974 cm^3
• Polarizability: 23.590708 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false