4-(2-fluorophenoxy)piperidine hydrochloride

• ChemBase ID: 19051
• Molecular Formular: C11H15ClFNO
• Molecular Mass: 231.6943032
• Monoisotopic Mass: 231.08262001
• SMILES: Cl.c1ccc(c(c1)F)OC1CCNCC1
• Canonical SMILES: Fc1ccccc1OC1CCNCC1.Cl
• InChI: InChI=1S/C11H14FNO.ClH/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2;1H
• InChIKey: LPYCXDRKDWMHGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-fluorophenoxy)piperidine hydrochloride
• IUPAC Traditional name: 4-(2-fluorophenoxy)piperidine hydrochloride
• Synonyms: 4-(2-fluorophenoxy)piperidine hydrochloride; 4-(2-Fluoro-phenoxy)-piperidine hydrochloride

Database IDs

• CAS Number: 3413-29-4
• MDL Number: MFCD08146652
• PubChem SID: 160982358
• PubChem CID: 16731691

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.605364
• LogD (pH = 7.4): -0.76104414
• Log P: 1.6020347
• Molar Refractivity: 52.894 cm^3
• Polarizability: 20.665693 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