2-[4-[1-[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]pentyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol

C49H94N8O3 — CID 21354933

IUPAC2-[4-[1-[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]pentyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol
SMILESCCCCC(c1nc(N(CCCC)C2CC(C)(C)N(CCO)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(CCO)C(C)(C)C2)n1)C1CC(C)(C)N(CCO)C(C)(C)C1
InChIInChI=1S/C49H94N8O3/c1-16-19-22-40(37-31-44(4,5)55(25-28-58)45(6,7)32-37)41-50-42(53(23-20-17-2)38-33-46(8,9)56(26-29-59)47(10,11)34-38)52-43(51-41)54(24-21-18-3)39-35-48(12,13)57(27-30-60)49(14,15)36-39/h37-40,58-60H,16-36H2,1-15H3
InChIKeyAUTTWLMRBDRYKJ-UHFFFAOYSA-N
MW843.34 g/mol
LogP8.65
Rot. Bonds21

About 2-[4-[1-[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]pentyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol

2-[4-[1-[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]pentyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol (PubChem CID 21354933) has the molecular formula C49H94N8O3 and a molecular weight of 843.34 g/mol. Its IUPAC name is 2-[4-[1-[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]pentyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]pentyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol
PubChem CID21354933
Molecular FormulaC49H94N8O3
Molecular Weight843.34 g/mol
Exact Mass842.74
IUPAC Name2-[4-[1-[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]pentyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol
SMILESCCCCC(c1nc(N(CCCC)C2CC(C)(C)N(CCO)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(CCO)C(C)(C)C2)n1)C1CC(C)(C)N(CCO)C(C)(C)C1
InChIInChI=1S/C49H94N8O3/c1-16-19-22-40(37-31-44(4,5)55(25-28-58)45(6,7)32-37)41-50-42(53(23-20-17-2)38-33-46(8,9)56(26-29-59)47(10,11)34-38)52-43(51-41)54(24-21-18-3)39-35-48(12,13)57(27-30-60)49(14,15)36-39/h37-40,58-60H,16-36H2,1-15H3
InChIKeyAUTTWLMRBDRYKJ-UHFFFAOYSA-N
XLogP8.65
TPSA115.56 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500843.34
LogP ≤ 58.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 2-[4-[1-[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]pentyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]pentyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[1-[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]pentyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol (CID 21354933) is 2-[4-[1-[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]pentyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[1-[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]pentyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[1-[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]pentyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol is CCCCC(c1nc(N(CCCC)C2CC(C)(C)N(CCO)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(CCO)C(C)(C)C2)n1)C1CC(C)(C)N(CCO)C(C)(C)C1.
What is the InChIKey of 2-[4-[1-[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]pentyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol?
The InChIKey is AUTTWLMRBDRYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H94N8O3/c1-16-19-22-40(37-31-44(4,5)55(25-28-58)45(6,7)32-37)41-50-42(53(23-20-17-2)38-33-46(8,9)56(26-29-59)47(10,11)34-38)52-43(51-41)54(24-21-18-3)39-35-48(12,13)57(27-30-60)49(14,15)36-39/h37-40,58-60H,16-36H2,1-15H3.
What are the key properties of 2-[4-[1-[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]pentyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol?
2-[4-[1-[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]pentyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol has a molecular weight of 843.34 g/mol, XLogP of 8.65, 21 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]pentyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol is sourced from PubChem (CID 21354933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).