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

C66H120N14O6 — CID 14746219

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

bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] butanedioate (PubChem CID 14746219) has the molecular formula C66H120N14O6 and a molecular weight of 1205.78 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] butanedioate.

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] butanedioate
• PubChem CID: 14746219
• Molecular Formula: C66H120N14O6
• Molecular Weight: 1205.78 g/mol
• Exact Mass: 1204.95
• IUPAC Name: bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] butanedioate
• SMILES: CCCCN(c1nc(OCCOC(=O)CCC(=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/C66H120N14O6/c1-21-25-31-77(47-39-59(5,6)73-60(7,8)40-47)53-67-54(78(32-26-22-2)48-41-61(9,10)74-62(11,12)42-48)70-57(69-53)85-37-35-83-51(81)29-30-52(82)84-36-38-86-58-71-55(79(33-27-23-3)49-43-63(13,14)75-64(15,16)44-49)68-56(72-58)80(34-28-24-4)50-45-65(17,18)76-66(19,20)46-50/h47-50,73-76H,21-46H2,1-20H3
• InChIKey: REDVBSHEMVISOP-UHFFFAOYSA-N
• XLogP: 11.04
• TPSA: 209.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 31
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1205.78
LogP ≤ 5	11.04
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] butanedioate?

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] butanedioate (CID 14746219) is bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] butanedioate.

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] butanedioate?

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] butanedioate is CCCCN(c1nc(OCCOC(=O)CCC(=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] butanedioate?

The InChIKey is REDVBSHEMVISOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H120N14O6/c1-21-25-31-77(47-39-59(5,6)73-60(7,8)40-47)53-67-54(78(32-26-22-2)48-41-61(9,10)74-62(11,12)42-48)70-57(69-53)85-37-35-83-51(81)29-30-52(82)84-36-38-86-58-71-55(79(33-27-23-3)49-43-63(13,14)75-64(15,16)44-49)68-56(72-58)80(34-28-24-4)50-45-65(17,18)76-66(19,20)46-50/h47-50,73-76H,21-46H2,1-20H3.

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] butanedioate?

bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] butanedioate has a molecular weight of 1205.78 g/mol, XLogP of 11.04, 31 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] butanedioate is sourced from PubChem (CID 14746219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).