4-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate

C66H122N16O4 — CID 14746226

IUPAC4-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate
SMILESCCCCN(c1nc(NCC(=O)OCCCCOC(=O)CNc2nc(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
InChIInChI=1S/C66H122N16O4/c1-21-25-31-79(47-37-59(5,6)75-60(7,8)38-47)55-69-53(70-56(73-55)80(32-26-22-2)48-39-61(9,10)76-62(11,12)40-48)67-45-51(83)85-35-29-30-36-86-52(84)46-68-54-71-57(81(33-27-23-3)49-41-63(13,14)77-64(15,16)42-49)74-58(72-54)82(34-28-24-4)50-43-65(17,18)78-66(19,20)44-50/h47-50,75-78H,21-46H2,1-20H3,(H,67,69,70,73)(H,68,71,72,74)
InChIKeyWRPFZRSECKRYQG-UHFFFAOYSA-N
MW1203.81 g/mol
LogP11.11
Rot. Bonds31

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

4-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate (PubChem CID 14746226) has the molecular formula C66H122N16O4 and a molecular weight of 1203.81 g/mol. Its IUPAC name is 4-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate.

Molecular Properties

Compound Name4-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate
PubChem CID14746226
Molecular FormulaC66H122N16O4
Molecular Weight1203.81 g/mol
Exact Mass1202.98
IUPAC Name4-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate
SMILESCCCCN(c1nc(NCC(=O)OCCCCOC(=O)CNc2nc(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
InChIInChI=1S/C66H122N16O4/c1-21-25-31-79(47-37-59(5,6)75-60(7,8)38-47)55-69-53(70-56(73-55)80(32-26-22-2)48-39-61(9,10)76-62(11,12)40-48)67-45-51(83)85-35-29-30-36-86-52(84)46-68-54-71-57(81(33-27-23-3)49-41-63(13,14)77-64(15,16)42-49)74-58(72-54)82(34-28-24-4)50-43-65(17,18)78-66(19,20)44-50/h47-50,75-78H,21-46H2,1-20H3,(H,67,69,70,73)(H,68,71,72,74)
InChIKeyWRPFZRSECKRYQG-UHFFFAOYSA-N
XLogP11.11
TPSA215.08 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds31
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001203.81
LogP ≤ 511.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 4-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate with MolForge

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Related Compounds

Butanedioic acid, bis(2-((4,6-bis((3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino)-1,3,5-triazin-2-yl)(2-((4,6-bis((3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino)-1,3,5-triazin-2-yl)amino)ethyl)amino)ethyl) ester
CID 90476792
Ethyl N-[2,4-bis(N-butyl-N-(2,2,6,6-tetramethyl-4-piperidyl)amino)-1,3,5-triazin-6-yl]glycinate
CID 14746206
Ethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate
CID 14746207
Ethyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate
CID 14746208
Bis{2-(2,4-bis[N-ethyl-N-(2,2,6,6-tetramethyl-4-piperidyl)amino]-1,3,5-triazin-6-yl)oxyethyl}succinate
CID 14746212
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
Bis[2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl] decanedioate
CID 14746214
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
Bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] hexanedioate
CID 14746217
Bis[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethyl] butanedioate
CID 14746219
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
2-[2-[2-[[4,6-Bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxyethoxy]ethyl 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate
CID 14746227

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate?
The IUPAC name of 4-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate (CID 14746226) is 4-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate.
What is the SMILES notation for 4-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate?
The canonical SMILES for 4-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate is CCCCN(c1nc(NCC(=O)OCCCCOC(=O)CNc2nc(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 4-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate?
The InChIKey is WRPFZRSECKRYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H122N16O4/c1-21-25-31-79(47-37-59(5,6)75-60(7,8)38-47)55-69-53(70-56(73-55)80(32-26-22-2)48-39-61(9,10)76-62(11,12)40-48)67-45-51(83)85-35-29-30-36-86-52(84)46-68-54-71-57(81(33-27-23-3)49-41-63(13,14)77-64(15,16)42-49)74-58(72-54)82(34-28-24-4)50-43-65(17,18)78-66(19,20)44-50/h47-50,75-78H,21-46H2,1-20H3,(H,67,69,70,73)(H,68,71,72,74).
What are the key properties of 4-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate?
4-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate has a molecular weight of 1203.81 g/mol, XLogP of 11.11, 31 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate is sourced from PubChem (CID 14746226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).