1-[4-[butyl-[4-[6-[[4-[butyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol

C88H170N16O8 — CID 18728794

IUPAC1-[4-[butyl-[4-[6-[[4-[butyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol
SMILESCCCCN(CCCC)c1nc(N(CCCC)C2CC(C)(C)N(OCC(C)(C)O)C(C)(C)C2)nc(N(CCCCCCN(c2nc(N(CCCC)CCCC)nc(N(CCCC)C3CC(C)(C)N(OCC(C)(C)O)C(C)(C)C3)n2)C2CC(C)(C)N(OCC(C)(C)O)C(C)(C)C2)C2CC(C)(C)N(OCC(C)(C)O)C(C)(C)C2)n1
InChIInChI=1S/C88H170N16O8/c1-31-37-47-95(48-38-32-2)71-89-73(97(51-41-35-5)67-55-77(7,8)101(78(9,10)56-67)109-63-85(23,24)105)93-75(91-71)99(69-59-81(15,16)103(82(17,18)60-69)111-65-87(27,28)107)53-45-43-44-46-54-100(70-61-83(19,20)104(84(21,22)62-70)112-66-88(29,30)108)76-92-72(96(49-39-33-3)50-40-34-4)90-74(94-76)98(52-42-36-6)68-57-79(11,12)102(80(13,14)58-68)110-64-86(25,26)106/h67-70,105-108H,31-66H2,1-30H3
InChIKeyHQBPTOKKBDMKFL-UHFFFAOYSA-N
MW1580.43 g/mol
LogP16.85
Rot. Bonds47

About 1-[4-[butyl-[4-[6-[[4-[butyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol

1-[4-[butyl-[4-[6-[[4-[butyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol (PubChem CID 18728794) has the molecular formula C88H170N16O8 and a molecular weight of 1580.43 g/mol. Its IUPAC name is 1-[4-[butyl-[4-[6-[[4-[butyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[butyl-[4-[6-[[4-[butyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol
PubChem CID18728794
Molecular FormulaC88H170N16O8
Molecular Weight1580.43 g/mol
Exact Mass1579.34
IUPAC Name1-[4-[butyl-[4-[6-[[4-[butyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol
SMILESCCCCN(CCCC)c1nc(N(CCCC)C2CC(C)(C)N(OCC(C)(C)O)C(C)(C)C2)nc(N(CCCCCCN(c2nc(N(CCCC)CCCC)nc(N(CCCC)C3CC(C)(C)N(OCC(C)(C)O)C(C)(C)C3)n2)C2CC(C)(C)N(OCC(C)(C)O)C(C)(C)C2)C2CC(C)(C)N(OCC(C)(C)O)C(C)(C)C2)n1
InChIInChI=1S/C88H170N16O8/c1-31-37-47-95(48-38-32-2)71-89-73(97(51-41-35-5)67-55-77(7,8)101(78(9,10)56-67)109-63-85(23,24)105)93-75(91-71)99(69-59-81(15,16)103(82(17,18)60-69)111-65-87(27,28)107)53-45-43-44-46-54-100(70-61-83(19,20)104(84(21,22)62-70)112-66-88(29,30)108)76-92-72(96(49-39-33-3)50-40-34-4)90-74(94-76)98(52-42-36-6)68-57-79(11,12)102(80(13,14)58-68)110-64-86(25,26)106/h67-70,105-108H,31-66H2,1-30H3
InChIKeyHQBPTOKKBDMKFL-UHFFFAOYSA-N
XLogP16.85
TPSA227.58 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds47
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001580.43
LogP ≤ 516.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 1-[4-[butyl-[4-[6-[[4-[butyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[butyl-[4-[6-[[4-[butyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[butyl-[4-[6-[[4-[butyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol (CID 18728794) is 1-[4-[butyl-[4-[6-[[4-[butyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[butyl-[4-[6-[[4-[butyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[butyl-[4-[6-[[4-[butyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol is CCCCN(CCCC)c1nc(N(CCCC)C2CC(C)(C)N(OCC(C)(C)O)C(C)(C)C2)nc(N(CCCCCCN(c2nc(N(CCCC)CCCC)nc(N(CCCC)C3CC(C)(C)N(OCC(C)(C)O)C(C)(C)C3)n2)C2CC(C)(C)N(OCC(C)(C)O)C(C)(C)C2)C2CC(C)(C)N(OCC(C)(C)O)C(C)(C)C2)n1.
What is the InChIKey of 1-[4-[butyl-[4-[6-[[4-[butyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol?
The InChIKey is HQBPTOKKBDMKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H170N16O8/c1-31-37-47-95(48-38-32-2)71-89-73(97(51-41-35-5)67-55-77(7,8)101(78(9,10)56-67)109-63-85(23,24)105)93-75(91-71)99(69-59-81(15,16)103(82(17,18)60-69)111-65-87(27,28)107)53-45-43-44-46-54-100(70-61-83(19,20)104(84(21,22)62-70)112-66-88(29,30)108)76-92-72(96(49-39-33-3)50-40-34-4)90-74(94-76)98(52-42-36-6)68-57-79(11,12)102(80(13,14)58-68)110-64-86(25,26)106/h67-70,105-108H,31-66H2,1-30H3.
What are the key properties of 1-[4-[butyl-[4-[6-[[4-[butyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol?
1-[4-[butyl-[4-[6-[[4-[butyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol has a molecular weight of 1580.43 g/mol, XLogP of 16.85, 47 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[butyl-[4-[6-[[4-[butyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]hexyl-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-(dibutylamino)-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol is sourced from PubChem (CID 18728794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).