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

C54H98N16O4 — CID 14746231

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

bis[2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] butanedioate (PubChem CID 14746231) has the molecular formula C54H98N16O4 and a molecular weight of 1035.49 g/mol. Its IUPAC name is bis[2-[[4,6-bis[methyl-(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[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] butanedioate
• PubChem CID: 14746231
• Molecular Formula: C54H98N16O4
• Molecular Weight: 1035.49 g/mol
• Exact Mass: 1034.80
• IUPAC Name: bis[2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] butanedioate
• SMILES: CN(c1nc(NCCOC(=O)CCC(=O)OCCNc2nc(N(C)C3CC(C)(C)NC(C)(C)C3)nc(N(C)C3CC(C)(C)NC(C)(C)C3)n2)nc(N(C)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
• InChI: InChI=1S/C54H98N16O4/c1-47(2)27-35(28-48(3,4)63-47)67(17)43-57-41(58-44(61-43)68(18)36-29-49(5,6)64-50(7,8)30-36)55-23-25-73-39(71)21-22-40(72)74-26-24-56-42-59-45(69(19)37-31-51(9,10)65-52(11,12)32-37)62-46(60-42)70(20)38-33-53(13,14)66-54(15,16)34-38/h35-38,63-66H,21-34H2,1-20H3,(H,55,57,58,61)(H,56,59,60,62)
• InChIKey: KFPRZSHTPAAAAF-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 215.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1035.49
LogP ≤ 5	6.43
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[methyl-(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[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] butanedioate (CID 14746231) is bis[2-[[4,6-bis[methyl-(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[methyl-(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[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] butanedioate is CN(c1nc(NCCOC(=O)CCC(=O)OCCNc2nc(N(C)C3CC(C)(C)NC(C)(C)C3)nc(N(C)C3CC(C)(C)NC(C)(C)C3)n2)nc(N(C)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[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] butanedioate?

The InChIKey is KFPRZSHTPAAAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H98N16O4/c1-47(2)27-35(28-48(3,4)63-47)67(17)43-57-41(58-44(61-43)68(18)36-29-49(5,6)64-50(7,8)30-36)55-23-25-73-39(71)21-22-40(72)74-26-24-56-42-59-45(69(19)37-31-51(9,10)65-52(11,12)32-37)62-46(60-42)70(20)38-33-53(13,14)66-54(15,16)34-38/h35-38,63-66H,21-34H2,1-20H3,(H,55,57,58,61)(H,56,59,60,62).

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

bis[2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] butanedioate has a molecular weight of 1035.49 g/mol, XLogP of 6.43, 19 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[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] butanedioate is sourced from PubChem (CID 14746231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).