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

C58H104N14O6 — CID 14746212

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

bis[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] butanedioate (PubChem CID 14746212) has the molecular formula C58H104N14O6 and a molecular weight of 1093.56 g/mol. Its IUPAC name is bis[2-[[4,6-bis[ethyl-(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[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] butanedioate
• PubChem CID: 14746212
• Molecular Formula: C58H104N14O6
• Molecular Weight: 1093.56 g/mol
• Exact Mass: 1092.83
• IUPAC Name: bis[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] butanedioate
• SMILES: CCN(c1nc(OCCOC(=O)CCC(=O)OCCOc2nc(N(CC)C3CC(C)(C)NC(C)(C)C3)nc(N(CC)C3CC(C)(C)NC(C)(C)C3)n2)nc(N(CC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
• InChI: InChI=1S/C58H104N14O6/c1-21-69(39-31-51(5,6)65-52(7,8)32-39)45-59-46(70(22-2)40-33-53(9,10)66-54(11,12)34-40)62-49(61-45)77-29-27-75-43(73)25-26-44(74)76-28-30-78-50-63-47(71(23-3)41-35-55(13,14)67-56(15,16)36-41)60-48(64-50)72(24-4)42-37-57(17,18)68-58(19,20)38-42/h39-42,65-68H,21-38H2,1-20H3
• InChIKey: KQHZGCJCTDJKFB-UHFFFAOYSA-N
• XLogP: 7.92
• TPSA: 209.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1093.56
LogP ≤ 5	7.92
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[ethyl-(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[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] butanedioate (CID 14746212) is bis[2-[[4,6-bis[ethyl-(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[ethyl-(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[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] butanedioate is CCN(c1nc(OCCOC(=O)CCC(=O)OCCOc2nc(N(CC)C3CC(C)(C)NC(C)(C)C3)nc(N(CC)C3CC(C)(C)NC(C)(C)C3)n2)nc(N(CC)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[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] butanedioate?

The InChIKey is KQHZGCJCTDJKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H104N14O6/c1-21-69(39-31-51(5,6)65-52(7,8)32-39)45-59-46(70(22-2)40-33-53(9,10)66-54(11,12)34-40)62-49(61-45)77-29-27-75-43(73)25-26-44(74)76-28-30-78-50-63-47(71(23-3)41-35-55(13,14)67-56(15,16)36-41)60-48(64-50)72(24-4)42-37-57(17,18)68-58(19,20)38-42/h39-42,65-68H,21-38H2,1-20H3.

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

bis[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] butanedioate has a molecular weight of 1093.56 g/mol, XLogP of 7.92, 23 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[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] butanedioate is sourced from PubChem (CID 14746212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).