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

C58H106N16O4 — CID 14746215

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

bis[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] butanedioate (PubChem CID 14746215) has the molecular formula C58H106N16O4 and a molecular weight of 1091.59 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]amino]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]amino]ethyl] butanedioate
• PubChem CID: 14746215
• Molecular Formula: C58H106N16O4
• Molecular Weight: 1091.59 g/mol
• Exact Mass: 1090.86
• IUPAC Name: bis[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] butanedioate
• SMILES: CCN(c1nc(NCCOC(=O)CCC(=O)OCCNc2nc(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/C58H106N16O4/c1-21-71(39-31-51(5,6)67-52(7,8)32-39)47-61-45(62-48(65-47)72(22-2)40-33-53(9,10)68-54(11,12)34-40)59-27-29-77-43(75)25-26-44(76)78-30-28-60-46-63-49(73(23-3)41-35-55(13,14)69-56(15,16)36-41)66-50(64-46)74(24-4)42-37-57(17,18)70-58(19,20)38-42/h39-42,67-70H,21-38H2,1-20H3,(H,59,61,62,65)(H,60,63,64,66)
• InChIKey: WDHVKAOUHFUWHH-UHFFFAOYSA-N
• XLogP: 7.99
• TPSA: 215.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1091.59
LogP ≤ 5	7.99
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[ethyl-(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[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] butanedioate (CID 14746215) is bis[2-[[4,6-bis[ethyl-(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[ethyl-(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[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] butanedioate is CCN(c1nc(NCCOC(=O)CCC(=O)OCCNc2nc(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]amino]ethyl] butanedioate?

The InChIKey is WDHVKAOUHFUWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H106N16O4/c1-21-71(39-31-51(5,6)67-52(7,8)32-39)47-61-45(62-48(65-47)72(22-2)40-33-53(9,10)68-54(11,12)34-40)59-27-29-77-43(75)25-26-44(76)78-30-28-60-46-63-49(73(23-3)41-35-55(13,14)69-56(15,16)36-41)66-50(64-46)74(24-4)42-37-57(17,18)70-58(19,20)38-42/h39-42,67-70H,21-38H2,1-20H3,(H,59,61,62,65)(H,60,63,64,66).

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]amino]ethyl] butanedioate?

bis[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] butanedioate has a molecular weight of 1091.59 g/mol, XLogP of 7.99, 23 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[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] butanedioate is sourced from PubChem (CID 14746215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).