1-methyl-4-[4-(tributylstannyl)phenyl]piperazine

• ChemBase ID: 89604
• Molecular Formular: C23H42N2Sn
• Molecular Mass: 465.29398
• Monoisotopic Mass: 466.23699335
• SMILES: [Sn](c1ccc(cc1)N1CCN(CC1)C)(CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ccc(cc1)N1CCN(CC1)C)(CCCC)CCCC
• InChI: InChI=1S/C11H15N2.3C4H9.Sn/c1-12-7-9-13(10-8-12)11-5-3-2-4-6-11;3*1-3-4-2;/h3-6H,7-10H2,1H3;3*1,3-4H2,2H3
• InChIKey: CQCNLWRKXQBKNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-[4-(tributylstannyl)phenyl]piperazine
• IUPAC Traditional name: 1-methyl-4-[4-(tributylstannyl)phenyl]piperazine
• Synonyms: 1-(4-Methylpiperazin-1-yl)-4-(tributylstannyl)benzene, [4-(4-Methylpiperazin-1-yl)phenyl]tributylstannane; 1-Methyl-4-[4-(tributylstannyl)phenyl]piperazine

Database IDs

• PubChem SID: 162104701
• PubChem CID: 71300059

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7383418
• LogD (pH = 7.4): 4.518631
• Log P: 5.1966
• Molar Refractivity: 114.3687 cm^3
• Polarizability: 48.854652 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Toxic