2-(2,4-difluorophenyl)piperidine hydrochloride

• ChemBase ID: 240820
• Molecular Formular: C11H14ClF2N
• Molecular Mass: 233.6853664
• Monoisotopic Mass: 233.07828357
• SMILES: c1(c(cc(cc1)F)F)C1NCCCC1.Cl
• Canonical SMILES: Fc1ccc(c(c1)F)C1CCCCN1.Cl
• InChI: InChI=1S/C11H13F2N.ClH/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h4-5,7,11,14H,1-3,6H2;1H
• InChIKey: BCLOXKKMPTXDGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-difluorophenyl)piperidine hydrochloride
• IUPAC Traditional name: 2-(2,4-difluorophenyl)piperidine hydrochloride
• Synonyms: 2-(2,4-difluorophenyl)piperidine hydrochloride

Database IDs

• MDL Number: MFCD22392224
• PubChem SID: 164296730
• PubChem CID: 71756639

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.22855891
• LogD (pH = 7.4): 1.3434075
• Log P: 2.7271316
• Molar Refractivity: 51.551 cm^3
• Polarizability: 19.665764 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 224 - 226°C
• Hydrophobicity(logP): 2.779

Product Information

• Purity: 95%