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

C60H110N16O4 — CID 14746213

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

bis[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] hexanedioate (PubChem CID 14746213) has the molecular formula C60H110N16O4 and a molecular weight of 1119.65 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] hexanedioate.

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] hexanedioate
• PubChem CID: 14746213
• Molecular Formula: C60H110N16O4
• Molecular Weight: 1119.65 g/mol
• Exact Mass: 1118.89
• IUPAC Name: bis[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] hexanedioate
• SMILES: CCN(c1nc(NCCOC(=O)CCCCC(=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/C60H110N16O4/c1-21-73(41-33-53(5,6)69-54(7,8)34-41)49-63-47(64-50(67-49)74(22-2)42-35-55(9,10)70-56(11,12)36-42)61-29-31-79-45(77)27-25-26-28-46(78)80-32-30-62-48-65-51(75(23-3)43-37-57(13,14)71-58(15,16)38-43)68-52(66-48)76(24-4)44-39-59(17,18)72-60(19,20)40-44/h41-44,69-72H,21-40H2,1-20H3,(H,61,63,64,67)(H,62,65,66,68)
• InChIKey: OZJUJQRAKYGVLJ-UHFFFAOYSA-N
• XLogP: 8.77
• TPSA: 215.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1119.65
LogP ≤ 5	8.77
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] hexanedioate?

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] hexanedioate (CID 14746213) is bis[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] hexanedioate.

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] hexanedioate?

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] hexanedioate is CCN(c1nc(NCCOC(=O)CCCCC(=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] hexanedioate?

The InChIKey is OZJUJQRAKYGVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H110N16O4/c1-21-73(41-33-53(5,6)69-54(7,8)34-41)49-63-47(64-50(67-49)74(22-2)42-35-55(9,10)70-56(11,12)36-42)61-29-31-79-45(77)27-25-26-28-46(78)80-32-30-62-48-65-51(75(23-3)43-37-57(13,14)71-58(15,16)38-43)68-52(66-48)76(24-4)44-39-59(17,18)72-60(19,20)40-44/h41-44,69-72H,21-40H2,1-20H3,(H,61,63,64,67)(H,62,65,66,68).

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] hexanedioate?

bis[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] hexanedioate has a molecular weight of 1119.65 g/mol, XLogP of 8.77, 25 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] hexanedioate is sourced from PubChem (CID 14746213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).