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

C54H98N16O5 — CID 14746243

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

2-[2-[2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxyethoxy]ethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate (PubChem CID 14746243) has the molecular formula C54H98N16O5 and a molecular weight of 1051.48 g/mol. Its IUPAC name is 2-[2-[2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxyethoxy]ethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate.

Molecular Properties

• Compound Name: 2-[2-[2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxyethoxy]ethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate
• PubChem CID: 14746243
• Molecular Formula: C54H98N16O5
• Molecular Weight: 1051.48 g/mol
• Exact Mass: 1050.79
• IUPAC Name: 2-[2-[2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxyethoxy]ethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate
• SMILES: CN(c1nc(NCC(=O)OCCOCCOC(=O)CNc2nc(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/C54H98N16O5/c1-47(2)25-35(26-48(3,4)63-47)67(17)43-57-41(58-44(61-43)68(18)36-27-49(5,6)64-50(7,8)28-36)55-33-39(71)74-23-21-73-22-24-75-40(72)34-56-42-59-45(69(19)37-29-51(9,10)65-52(11,12)30-37)62-46(60-42)70(20)38-31-53(13,14)66-54(15,16)32-38/h35-38,63-66H,21-34H2,1-20H3,(H,55,57,58,61)(H,56,59,60,62)
• InChIKey: JGNCPOKLYRDSNN-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 224.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1051.48
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxyethoxy]ethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate?

The IUPAC name of 2-[2-[2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxyethoxy]ethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate (CID 14746243) is 2-[2-[2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxyethoxy]ethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate.

What is the SMILES notation for 2-[2-[2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxyethoxy]ethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate?

The canonical SMILES for 2-[2-[2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxyethoxy]ethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate is CN(c1nc(NCC(=O)OCCOCCOC(=O)CNc2nc(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 2-[2-[2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxyethoxy]ethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate?

The InChIKey is JGNCPOKLYRDSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H98N16O5/c1-47(2)25-35(26-48(3,4)63-47)67(17)43-57-41(58-44(61-43)68(18)36-27-49(5,6)64-50(7,8)28-36)55-33-39(71)74-23-21-73-22-24-75-40(72)34-56-42-59-45(69(19)37-29-51(9,10)65-52(11,12)30-37)62-46(60-42)70(20)38-31-53(13,14)66-54(15,16)32-38/h35-38,63-66H,21-34H2,1-20H3,(H,55,57,58,61)(H,56,59,60,62).

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

2-[2-[2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxyethoxy]ethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate has a molecular weight of 1051.48 g/mol, XLogP of 5.67, 20 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxyethoxy]ethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate is sourced from PubChem (CID 14746243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).