1-(4-iodophenyl)-4-methylpiperazine

• ChemBase ID: 76894
• Molecular Formular: C11H15IN2
• Molecular Mass: 302.15467
• Monoisotopic Mass: 302.02799649
• SMILES: N1(CCN(c2ccc(cc2)I)CC1)C
• Canonical SMILES: CN1CCN(CC1)c1ccc(cc1)I
• InChI: InChI=1S/C11H15IN2/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3
• InChIKey: WHDKRPSSEZGGMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-iodophenyl)-4-methylpiperazine
• IUPAC Traditional name: 1-(4-iodophenyl)-4-methylpiperazine
• Synonyms: 1-(4-Iodophenyl)-4-methylpiperazine

Database IDs

• PubChem SID: 162104372
• PubChem CID: 44118674

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.52208537
• LogD (pH = 7.4): 2.2655392
• Log P: 2.8573537
• Molar Refractivity: 69.8992 cm^3
• Polarizability: 26.508255 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant