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

C56H102N16O4 — CID 14746233

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

bis[2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] hexanedioate (PubChem CID 14746233) has the molecular formula C56H102N16O4 and a molecular weight of 1063.54 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] hexanedioate.

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] hexanedioate
• PubChem CID: 14746233
• Molecular Formula: C56H102N16O4
• Molecular Weight: 1063.54 g/mol
• Exact Mass: 1062.83
• IUPAC Name: bis[2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] hexanedioate
• SMILES: CN(c1nc(NCCOC(=O)CCCCC(=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/C56H102N16O4/c1-49(2)29-37(30-50(3,4)65-49)69(17)45-59-43(60-46(63-45)70(18)38-31-51(5,6)66-52(7,8)32-38)57-25-27-75-41(73)23-21-22-24-42(74)76-28-26-58-44-61-47(71(19)39-33-53(9,10)67-54(11,12)34-39)64-48(62-44)72(20)40-35-55(13,14)68-56(15,16)36-40/h37-40,65-68H,21-36H2,1-20H3,(H,57,59,60,63)(H,58,61,62,64)
• InChIKey: XRONHAGSDXLKDO-UHFFFAOYSA-N
• XLogP: 7.21
• TPSA: 215.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1063.54
LogP ≤ 5	7.21
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] hexanedioate?

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] hexanedioate (CID 14746233) is bis[2-[[4,6-bis[methyl-(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[methyl-(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[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] hexanedioate is CN(c1nc(NCCOC(=O)CCCCC(=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] hexanedioate?

The InChIKey is XRONHAGSDXLKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H102N16O4/c1-49(2)29-37(30-50(3,4)65-49)69(17)45-59-43(60-46(63-45)70(18)38-31-51(5,6)66-52(7,8)32-38)57-25-27-75-41(73)23-21-22-24-42(74)76-28-26-58-44-61-47(71(19)39-33-53(9,10)67-54(11,12)34-39)64-48(62-44)72(20)40-35-55(13,14)68-56(15,16)36-40/h37-40,65-68H,21-36H2,1-20H3,(H,57,59,60,63)(H,58,61,62,64).

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] hexanedioate?

bis[2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] hexanedioate has a molecular weight of 1063.54 g/mol, XLogP of 7.21, 21 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] hexanedioate is sourced from PubChem (CID 14746233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).