4-(4-iodophenoxy)piperidine hydrochloride

• ChemBase ID: 47245
• Molecular Formular: C11H15ClINO
• Molecular Mass: 339.60037
• Monoisotopic Mass: 338.98868979
• SMILES: N1CCC(Oc2ccc(I)cc2)CC1.Cl
• Canonical SMILES: Ic1ccc(cc1)OC1CCNCC1.Cl
• InChI: InChI=1S/C11H14INO.ClH/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11;/h1-4,11,13H,5-8H2;1H
• InChIKey: SQUJKMFRGRZABH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-iodophenoxy)piperidine hydrochloride
• IUPAC Traditional name: 4-(4-iodophenoxy)piperidine hydrochloride
• Synonyms: 4-(4-Iodophenoxy)piperidine hydrochloride

Database IDs

• MDL Number: MFCD13561119
• PubChem SID: 162052008
• PubChem CID: 53409909

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8191215
• LogD (pH = 7.4): 0.025197102
• Log P: 2.3882773
• Molar Refractivity: 66.0401 cm^3
• Polarizability: 26.078438 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