4-(3-fluorophenoxy)piperidine hydrochloride

• ChemBase ID: 15331
• Molecular Formular: C11H15ClFNO
• Molecular Mass: 231.6943032
• Monoisotopic Mass: 231.08262001
• SMILES: c1c(cc(cc1)OC1CCNCC1)F.Cl
• Canonical SMILES: Fc1cccc(c1)OC1CCNCC1.Cl
• InChI: InChI=1S/C11H14FNO.ClH/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;/h1-3,8,10,13H,4-7H2;1H
• InChIKey: WRTHTGNXSSACJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-fluorophenoxy)piperidine hydrochloride
• IUPAC Traditional name: 4-(3-fluorophenoxy)piperidine hydrochloride
• Synonyms: 4-(3-Fluorophenoxy)piperidine hydrochloride; 3-[(Piperidin-4-yl)oxy]fluorobenzene hydrochloride

Database IDs

• CAS Number: 3202-36-6
• MDL Number: MFCD08445760
• PubChem SID: 160978638
• PubChem CID: 45074923

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6053641
• LogD (pH = 7.4): -0.76104546
• Log P: 1.6020347
• Molar Refractivity: 52.894 cm^3
• Polarizability: 20.665356 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false