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

C31H59N7O2 — CID 14746201

IUPAC2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethanol
SMILESCCCCN(c1nc(OCCO)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C31H59N7O2/c1-11-13-15-37(23-19-28(3,4)35-29(5,6)20-23)25-32-26(34-27(33-25)40-18-17-39)38(16-14-12-2)24-21-30(7,8)36-31(9,10)22-24/h23-24,35-36,39H,11-22H2,1-10H3
InChIKeyUFPIXSYLDUMFMX-UHFFFAOYSA-N
MW561.86 g/mol
LogP5.07
Rot. Bonds13

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

2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethanol (PubChem CID 14746201) has the molecular formula C31H59N7O2 and a molecular weight of 561.86 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]ethanol.

Molecular Properties

Compound Name2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethanol
PubChem CID14746201
Molecular FormulaC31H59N7O2
Molecular Weight561.86 g/mol
Exact Mass561.47
IUPAC Name2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethanol
SMILESCCCCN(c1nc(OCCO)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C31H59N7O2/c1-11-13-15-37(23-19-28(3,4)35-29(5,6)20-23)25-32-26(34-27(33-25)40-18-17-39)38(16-14-12-2)24-21-30(7,8)36-31(9,10)22-24/h23-24,35-36,39H,11-22H2,1-10H3
InChIKeyUFPIXSYLDUMFMX-UHFFFAOYSA-N
XLogP5.07
TPSA98.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.86
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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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]ethanol?
The IUPAC name of 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethanol (CID 14746201) is 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethanol.
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]ethanol?
The canonical SMILES for 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethanol is CCCCN(c1nc(OCCO)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]ethanol?
The InChIKey is UFPIXSYLDUMFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H59N7O2/c1-11-13-15-37(23-19-28(3,4)35-29(5,6)20-23)25-32-26(34-27(33-25)40-18-17-39)38(16-14-12-2)24-21-30(7,8)36-31(9,10)22-24/h23-24,35-36,39H,11-22H2,1-10H3.
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]ethanol?
2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethanol has a molecular weight of 561.86 g/mol, XLogP of 5.07, 13 rotatable bonds, 3 hydrogen bond donors, and 9 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]ethanol is sourced from PubChem (CID 14746201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).