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

• ChemBase ID: 89608
• Molecular Formular: C24H44N2Sn
• Molecular Mass: 479.32056
• Monoisotopic Mass: 480.25264342
• SMILES: [Sn](c1ccc(cc1)CN1CCN(CC1)C)(CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ccc(cc1)CN1CCN(CC1)C)(CCCC)CCCC
• InChI: InChI=1S/C12H17N2.3C4H9.Sn/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;3*1-3-4-2;/h3-6H,7-11H2,1H3;3*1,3-4H2,2H3
• InChIKey: CVGAJHSCEFONIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162104703
• PubChem CID: 71300061

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1900437
• LogD (pH = 7.4): 3.992619
• Log P: 4.8191
• Molar Refractivity: 118.4828 cm^3
• Polarizability: 51.072353 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic