4-(2,4-difluorophenoxy)piperidine hydrochloride

• ChemBase ID: 20992
• Molecular Formular: C11H14ClF2NO
• Molecular Mass: 249.6847664
• Monoisotopic Mass: 249.07319819
• SMILES: c1(c(cc(cc1)F)F)OC1CCNCC1.Cl
• Canonical SMILES: Fc1ccc(c(c1)F)OC1CCNCC1.Cl
• InChI: InChI=1S/C11H13F2NO.ClH/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9;/h1-2,7,9,14H,3-6H2;1H
• InChIKey: OCJMIBZWCNGEAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09997065
• PubChem SID: 160984299
• PubChem CID: 42948943

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.462662
• LogD (pH = 7.4): -0.6183422
• Log P: 1.7447367
• Molar Refractivity: 53.1104 cm^3
• Polarizability: 20.39339 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 188 - 190°C
• Hydrophobicity(logP): 1.948

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%