4-(fluoromethyl)piperidine hydrochloride

• ChemBase ID: 63980
• Molecular Formular: C6H13ClFN
• Molecular Mass: 153.6255232
• Monoisotopic Mass: 153.07205532
• SMILES: FCC1CCNCC1.Cl
• Canonical SMILES: FCC1CCNCC1.Cl
• InChI: InChI=1S/C6H12FN.ClH/c7-5-6-1-3-8-4-2-6;/h6,8H,1-5H2;1H
• InChIKey: GDUQKYYPOBCIJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(fluoromethyl)piperidine hydrochloride
• IUPAC Traditional name: 4-(fluoromethyl)piperidine hydrochloride
• Synonyms: 4-Fluoromethylpiperidine hydrochloride

Database IDs

• CAS Number: 787564-27-6
• MDL Number: MFCD19443952
• PubChem SID: 162029719
• PubChem CID: 23110104

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.7545304
• LogD (pH = 7.4): -2.2933142
• Log P: 0.47687364
• Molar Refractivity: 31.5436 cm^3
• Polarizability: 12.27312 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%