4-fluoro-4-phenylpiperidine hydrochloride

• ChemBase ID: 99280
• Molecular Formular: C11H15ClFN
• Molecular Mass: 215.6949032
• Monoisotopic Mass: 215.08770539
• SMILES: N1CCC(c2ccccc2)(CC1)F.Cl
• Canonical SMILES: FC1(CCNCC1)c1ccccc1.Cl
• InChI: InChI=1S/C11H14FN.ClH/c12-11(6-8-13-9-7-11)10-4-2-1-3-5-10;/h1-5,13H,6-9H2;1H
• InChIKey: YKHBLOUKDHUYIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-4-phenylpiperidine hydrochloride
• IUPAC Traditional name: 4-fluoro-4-phenylpiperidine hydrochloride
• Synonyms: 4-Fluoro-4-phenylpiperidine hydrochloride

Database IDs

• CAS Number: 1056382-25-2
• PubChem SID: 162085562
• PubChem CID: 45933759

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5090196
• LogD (pH = 7.4): -0.4171977
• Log P: 1.6645148
• Molar Refractivity: 51.2278 cm^3
• Polarizability: 20.004225 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant