bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] hexanedioate

C68H124N14O6 — CID 14746217

About bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] hexanedioate

bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] hexanedioate (PubChem CID 14746217) has the molecular formula C68H124N14O6 and a molecular weight of 1233.83 g/mol. Its IUPAC name is bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] hexanedioate.

Molecular Properties

• Compound Name: bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] hexanedioate
• PubChem CID: 14746217
• Molecular Formula: C68H124N14O6
• Molecular Weight: 1233.83 g/mol
• Exact Mass: 1232.98
• IUPAC Name: bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] hexanedioate
• SMILES: CCCCN(c1nc(OCCOC(=O)CCCCC(=O)OCCOc2nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)n2)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
• InChI: InChI=1S/C68H124N14O6/c1-21-25-33-79(49-41-61(5,6)75-62(7,8)42-49)55-69-56(80(34-26-22-2)50-43-63(9,10)76-64(11,12)44-50)72-59(71-55)87-39-37-85-53(83)31-29-30-32-54(84)86-38-40-88-60-73-57(81(35-27-23-3)51-45-65(13,14)77-66(15,16)46-51)70-58(74-60)82(36-28-24-4)52-47-67(17,18)78-68(19,20)48-52/h49-52,75-78H,21-48H2,1-20H3
• InChIKey: PFICKDXSWRPXJE-UHFFFAOYSA-N
• XLogP: 11.82
• TPSA: 209.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 33
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1233.83
LogP ≤ 5	11.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] hexanedioate?

The IUPAC name of bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] hexanedioate (CID 14746217) is bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] hexanedioate.

What is the SMILES notation for bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] hexanedioate?

The canonical SMILES for bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] hexanedioate is CCCCN(c1nc(OCCOC(=O)CCCCC(=O)OCCOc2nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)n2)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1.

What is the InChIKey of bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] hexanedioate?

The InChIKey is PFICKDXSWRPXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H124N14O6/c1-21-25-33-79(49-41-61(5,6)75-62(7,8)42-49)55-69-56(80(34-26-22-2)50-43-63(9,10)76-64(11,12)44-50)72-59(71-55)87-39-37-85-53(83)31-29-30-32-54(84)86-38-40-88-60-73-57(81(35-27-23-3)51-45-65(13,14)77-66(15,16)46-51)70-58(74-60)82(36-28-24-4)52-47-67(17,18)78-68(19,20)48-52/h49-52,75-78H,21-48H2,1-20H3.

What are the key properties of bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] hexanedioate?

bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] hexanedioate has a molecular weight of 1233.83 g/mol, XLogP of 11.82, 33 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] hexanedioate is sourced from PubChem (CID 14746217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).