1-(4-iodophenyl)piperazine

• ChemBase ID: 812575
• Molecular Formular: C10H13IN2
• Molecular Mass: 288.12809
• Monoisotopic Mass: 288.01234643
• SMILES: C1CNCCN1c1ccc(cc1)I
• Canonical SMILES: Ic1ccc(cc1)N1CCNCC1
• InChI: InChI=1S/C10H13IN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
• InChIKey: CFZRRGPCDUOJHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-iodophenyl)piperazine
• IUPAC Traditional name: 1-(4-iodophenyl)piperazine
• Synonyms: 1-(4-IODOPHENYL)PIPERAZINE

Database IDs

• CAS Number: 96530-59-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.53111273
• LogD (pH = 7.4): 0.9859918
• Log P: 2.4743059
• Molar Refractivity: 64.6045 cm^3
• Polarizability: 24.688969 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%