3-(3-iodophenoxy)piperidine

• ChemBase ID: 20869
• Molecular Formular: C11H14INO
• Molecular Mass: 303.13943
• Monoisotopic Mass: 303.01201207
• SMILES: N1CC(Oc2cc(I)ccc2)CCC1
• Canonical SMILES: Ic1cccc(c1)OC1CCCNC1
• InChI: InChI=1S/C11H14INO/c12-9-3-1-4-10(7-9)14-11-5-2-6-13-8-11/h1,3-4,7,11,13H,2,5-6,8H2
• InChIKey: HAZKFDIMIVGGDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-iodophenoxy)piperidine
• IUPAC Traditional name: 3-(3-iodophenoxy)piperidine
• Synonyms: 3-(3-Iodophenoxy)piperidine

Database IDs

• MDL Number: MFCD08687942
• PubChem SID: 160984176
• PubChem CID: 45075403

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.32072338
• LogD (pH = 7.4): 0.8072253
• Log P: 2.8456802
• Molar Refractivity: 65.8193 cm^3
• Polarizability: 26.078823 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