4-(2-iodophenoxy)piperidine hydrochloride

• ChemBase ID: 47317
• Molecular Formular: C11H15ClINO
• Molecular Mass: 339.60037
• Monoisotopic Mass: 338.98868979
• SMILES: c1(OC2CCNCC2)c(I)cccc1.Cl
• Canonical SMILES: Ic1ccccc1OC1CCNCC1.Cl
• InChI: InChI=1S/C11H14INO.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: RHFSGYQETBHLFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-iodophenoxy)piperidine hydrochloride
• IUPAC Traditional name: 4-(2-iodophenoxy)piperidine hydrochloride
• Synonyms: 2-Iodophenyl 4-piperidinyl ether hydrochloride

Database IDs

• MDL Number: MFCD13561184
• PubChem SID: 162052080
• PubChem CID: 56831166

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false