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

C66H122N16O4 — CID 14746232

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

bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] butanedioate (PubChem CID 14746232) has the molecular formula C66H122N16O4 and a molecular weight of 1203.81 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]amino]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]amino]ethyl] butanedioate
• PubChem CID: 14746232
• Molecular Formula: C66H122N16O4
• Molecular Weight: 1203.81 g/mol
• Exact Mass: 1202.98
• IUPAC Name: bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] butanedioate
• SMILES: CCCCN(c1nc(NCCOC(=O)CCC(=O)OCCNc2nc(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/C66H122N16O4/c1-21-25-33-79(47-39-59(5,6)75-60(7,8)40-47)55-69-53(70-56(73-55)80(34-26-22-2)48-41-61(9,10)76-62(11,12)42-48)67-31-37-85-51(83)29-30-52(84)86-38-32-68-54-71-57(81(35-27-23-3)49-43-63(13,14)77-64(15,16)44-49)74-58(72-54)82(36-28-24-4)50-45-65(17,18)78-66(19,20)46-50/h47-50,75-78H,21-46H2,1-20H3,(H,67,69,70,73)(H,68,71,72,74)
• InChIKey: RZSFFPPKJCHUNR-UHFFFAOYSA-N
• XLogP: 11.11
• TPSA: 215.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 31
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1203.81
LogP ≤ 5	11.11
H-Bond Donors ≤ 5	6
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]amino]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]amino]ethyl] butanedioate (CID 14746232) is bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]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]amino]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]amino]ethyl] butanedioate is CCCCN(c1nc(NCCOC(=O)CCC(=O)OCCNc2nc(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]amino]ethyl] butanedioate?

The InChIKey is RZSFFPPKJCHUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H122N16O4/c1-21-25-33-79(47-39-59(5,6)75-60(7,8)40-47)55-69-53(70-56(73-55)80(34-26-22-2)48-41-61(9,10)76-62(11,12)42-48)67-31-37-85-51(83)29-30-52(84)86-38-32-68-54-71-57(81(35-27-23-3)49-43-63(13,14)77-64(15,16)44-49)74-58(72-54)82(36-28-24-4)50-45-65(17,18)78-66(19,20)46-50/h47-50,75-78H,21-46H2,1-20H3,(H,67,69,70,73)(H,68,71,72,74).

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]amino]ethyl] butanedioate?

bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] butanedioate has a molecular weight of 1203.81 g/mol, XLogP of 11.11, 31 rotatable bonds, 6 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]amino]ethyl] butanedioate is sourced from PubChem (CID 14746232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).