4-(3,4-difluorophenoxy)piperidine hydrochloride

• ChemBase ID: 15369
• Molecular Formular: C11H14ClF2NO
• Molecular Mass: 249.6847664
• Monoisotopic Mass: 249.07319819
• SMILES: c1(cc(OC2CCNCC2)ccc1F)F.Cl
• Canonical SMILES: Fc1ccc(cc1F)OC1CCNCC1.Cl
• InChI: InChI=1S/C11H13F2NO.ClH/c12-10-2-1-9(7-11(10)13)15-8-3-5-14-6-4-8;/h1-2,7-8,14H,3-6H2;1H
• InChIKey: IHYVWAGJHCWHIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3,4-difluorophenoxy)piperidine hydrochloride
• IUPAC Traditional name: 4-(3,4-difluorophenoxy)piperidine hydrochloride
• Synonyms: 4-(3,4-Difluorophenoxy)piperidine hydrochloride

Database IDs

• MDL Number: MFCD08544114
• PubChem SID: 160978676
• PubChem CID: 17197333

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4626621
• LogD (pH = 7.4): -0.6183435
• Log P: 1.7447367
• Molar Refractivity: 53.1104 cm^3
• Polarizability: 20.390997 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false