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

• ChemBase ID: 89615
• Molecular Formular: C24H43NSn
• Molecular Mass: 464.30592
• Monoisotopic Mass: 465.24174438
• SMILES: [Sn](c1ccc(cc1)CN1CCCCC1)(CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ccc(cc1)CN1CCCCC1)(CCCC)CCCC
• InChI: InChI=1S/C12H16N.3C4H9.Sn/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;3*1-3-4-2;/h3-4,7-8H,2,5-6,9-11H2;3*1,3-4H2,2H3
• InChIKey: SUFFWOBYJVBIKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[4-(tributylstannyl)phenyl]methyl}piperidine
• IUPAC Traditional name: 1-{[4-(tributylstannyl)phenyl]methyl}piperidine
• Synonyms: {4-[(Piperidin-1-yl)methyl]phenyl}tributylstannane; 1-[(Piperidin-1-yl)methyl]-4-(tributylstannyl)benzene; 1-[4-(Tributylstannyl)benzyl]piperidine

Database IDs

• PubChem SID: 162104704
• PubChem CID: 68695422

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8815193
• LogD (pH = 7.4): 5.4597616
• Log P: 5.7397
• Molar Refractivity: 114.5747 cm^3
• Polarizability: 49.544235 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Toxic