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

C29H55N7O3 — CID 19388413

IUPAC2-[1-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethoxy]ethanol
SMILESCCN(c1nc(OC(C)OCCO)nc(N(CC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C29H55N7O3/c1-12-35(21-16-26(4,5)33-27(6,7)17-21)23-30-24(32-25(31-23)39-20(3)38-15-14-37)36(13-2)22-18-28(8,9)34-29(10,11)19-22/h20-22,33-34,37H,12-19H2,1-11H3
InChIKeyOADMSDCAGNGLJF-UHFFFAOYSA-N
MW549.81 g/mol
LogP3.88
Rot. Bonds11

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

2-[1-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethoxy]ethanol (PubChem CID 19388413) has the molecular formula C29H55N7O3 and a molecular weight of 549.81 g/mol. Its IUPAC name is 2-[1-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[1-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethoxy]ethanol
PubChem CID19388413
Molecular FormulaC29H55N7O3
Molecular Weight549.81 g/mol
Exact Mass549.44
IUPAC Name2-[1-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethoxy]ethanol
SMILESCCN(c1nc(OC(C)OCCO)nc(N(CC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C29H55N7O3/c1-12-35(21-16-26(4,5)33-27(6,7)17-21)23-30-24(32-25(31-23)39-20(3)38-15-14-37)36(13-2)22-18-28(8,9)34-29(10,11)19-22/h20-22,33-34,37H,12-19H2,1-11H3
InChIKeyOADMSDCAGNGLJF-UHFFFAOYSA-N
XLogP3.88
TPSA107.90 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.81
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethoxy]ethanol?
The IUPAC name of 2-[1-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethoxy]ethanol (CID 19388413) is 2-[1-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethoxy]ethanol.
What is the SMILES notation for 2-[1-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethoxy]ethanol?
The canonical SMILES for 2-[1-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethoxy]ethanol is CCN(c1nc(OC(C)OCCO)nc(N(CC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-[1-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethoxy]ethanol?
The InChIKey is OADMSDCAGNGLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H55N7O3/c1-12-35(21-16-26(4,5)33-27(6,7)17-21)23-30-24(32-25(31-23)39-20(3)38-15-14-37)36(13-2)22-18-28(8,9)34-29(10,11)19-22/h20-22,33-34,37H,12-19H2,1-11H3.
What are the key properties of 2-[1-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethoxy]ethanol?
2-[1-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethoxy]ethanol has a molecular weight of 549.81 g/mol, XLogP of 3.88, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethoxy]ethanol is sourced from PubChem (CID 19388413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).