4-(2-iodophenoxy)piperidine

• ChemBase ID: 235343
• Molecular Formular: C11H14INO
• Molecular Mass: 303.13943
• Monoisotopic Mass: 303.01201207
• SMILES: c1(OC2CCNCC2)c(I)cccc1
• Canonical SMILES: Ic1ccccc1OC1CCNCC1
• InChI: InChI=1S/C11H14INO/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9/h1-4,9,13H,5-8H2
• InChIKey: GEPONZFYXJHBLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-iodophenoxy)piperidine
• IUPAC Traditional name: 4-(2-iodophenoxy)piperidine
• Synonyms: 4-(2-iodophenoxy)piperidine

Database IDs

• MDL Number: MFCD16076681
• PubChem SID: 164291253
• PubChem CID: 56831167

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8191214
• LogD (pH = 7.4): 0.02519756
• Log P: 2.3882773
• Molar Refractivity: 66.0401 cm^3
• Polarizability: 26.089556 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.656

Product Information

• Purity: 95%