2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl 2-[bis[2-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethoxy]-2-oxoethyl]amino]acetate

C99H180N22O9 — CID 14746225

About 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl 2-[bis[2-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethoxy]-2-oxoethyl]amino]acetate

2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl 2-[bis[2-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethoxy]-2-oxoethyl]amino]acetate (PubChem CID 14746225) has the molecular formula C99H180N22O9 and a molecular weight of 1822.67 g/mol. Its IUPAC name is 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl 2-[bis[2-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethoxy]-2-oxoethyl]amino]acetate.

Molecular Properties

• Compound Name: 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl 2-[bis[2-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethoxy]-2-oxoethyl]amino]acetate
• PubChem CID: 14746225
• Molecular Formula: C99H180N22O9
• Molecular Weight: 1822.67 g/mol
• Exact Mass: 1821.43
• IUPAC Name: 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl 2-[bis[2-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethoxy]-2-oxoethyl]amino]acetate
• SMILES: CCCCN(c1nc(OCCOC(=O)CN(CC(=O)OCCOc2nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)n2)CC(=O)OCCOc2nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)n2)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
• InChI: InChI=1S/C99H180N22O9/c1-31-37-43-116(70-55-88(7,8)109-89(9,10)56-70)79-100-80(117(44-38-32-2)71-57-90(11,12)110-91(13,14)58-71)104-85(103-79)128-52-49-125-76(122)67-115(68-77(123)126-50-53-129-86-105-81(118(45-39-33-3)72-59-92(15,16)111-93(17,18)60-72)101-82(106-86)119(46-40-34-4)73-61-94(19,20)112-95(21,22)62-73)69-78(124)127-51-54-130-87-107-83(120(47-41-35-5)74-63-96(23,24)113-97(25,26)64-74)102-84(108-87)121(48-42-36-6)75-65-98(27,28)114-99(29,30)66-75/h70-75,109-114H,31-69H2,1-30H3
• InChIKey: SJWWWWCAYMHQNK-UHFFFAOYSA-N
• XLogP: 15.20
• TPSA: 317.46 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 48
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1822.67
LogP ≤ 5	15.20
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl 2-[bis[2-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethoxy]-2-oxoethyl]amino]acetate?

The IUPAC name of 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl 2-[bis[2-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethoxy]-2-oxoethyl]amino]acetate (CID 14746225) is 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl 2-[bis[2-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethoxy]-2-oxoethyl]amino]acetate.

What is the SMILES notation for 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl 2-[bis[2-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethoxy]-2-oxoethyl]amino]acetate?

The canonical SMILES for 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl 2-[bis[2-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethoxy]-2-oxoethyl]amino]acetate is CCCCN(c1nc(OCCOC(=O)CN(CC(=O)OCCOc2nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)n2)CC(=O)OCCOc2nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)n2)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1.

What is the InChIKey of 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl 2-[bis[2-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethoxy]-2-oxoethyl]amino]acetate?

The InChIKey is SJWWWWCAYMHQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H180N22O9/c1-31-37-43-116(70-55-88(7,8)109-89(9,10)56-70)79-100-80(117(44-38-32-2)71-57-90(11,12)110-91(13,14)58-71)104-85(103-79)128-52-49-125-76(122)67-115(68-77(123)126-50-53-129-86-105-81(118(45-39-33-3)72-59-92(15,16)111-93(17,18)60-72)101-82(106-86)119(46-40-34-4)73-61-94(19,20)112-95(21,22)62-73)69-78(124)127-51-54-130-87-107-83(120(47-41-35-5)74-63-96(23,24)113-97(25,26)64-74)102-84(108-87)121(48-42-36-6)75-65-98(27,28)114-99(29,30)66-75/h70-75,109-114H,31-69H2,1-30H3.

What are the key properties of 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl 2-[bis[2-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethoxy]-2-oxoethyl]amino]acetate?

2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl 2-[bis[2-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethoxy]-2-oxoethyl]amino]acetate has a molecular weight of 1822.67 g/mol, XLogP of 15.20, 48 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl 2-[bis[2-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethoxy]-2-oxoethyl]amino]acetate is sourced from PubChem (CID 14746225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).