3-fluoro-4-methylpiperidine hydrochloride

• ChemBase ID: 247793
• Molecular Formular: C6H13ClFN
• Molecular Mass: 153.6255232
• Monoisotopic Mass: 153.07205532
• SMILES: N1CC(C(CC1)C)F.Cl
• Canonical SMILES: CC1CCNCC1F.Cl
• InChI: InChI=1S/C6H12FN.ClH/c1-5-2-3-8-4-6(5)7;/h5-6,8H,2-4H2,1H3;1H
• InChIKey: IVOIZMQEPDOLEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-4-methylpiperidine hydrochloride
• IUPAC Traditional name: 3-fluoro-4-methylpiperidine hydrochloride
• Synonyms: 3-fluoro-4-methylpiperidine hydrochloride

Database IDs

• MDL Number: MFCD20684568
• PubChem SID: 164303703
• PubChem CID: 21955231

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.119074
• LogD (pH = 7.4): -0.54907
• Log P: 0.8386487
• Molar Refractivity: 30.9764 cm^3
• Polarizability: 12.273578 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): 1.297

Product Information

• Purity: 95%