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

C27H52N8O — CID 15250401

IUPAC2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCN(c1nc(NCCO)nc(N(CC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C27H52N8O/c1-11-34(19-15-24(3,4)32-25(5,6)16-19)22-29-21(28-13-14-36)30-23(31-22)35(12-2)20-17-26(7,8)33-27(9,10)18-20/h19-20,32-33,36H,11-18H2,1-10H3,(H,28,29,30,31)
InChIKeyISJWNYHTAYAVTH-UHFFFAOYSA-N
MW504.77 g/mol
LogP3.55
Rot. Bonds9

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

2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 15250401) has the molecular formula C27H52N8O and a molecular weight of 504.77 g/mol. Its IUPAC name is 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID15250401
Molecular FormulaC27H52N8O
Molecular Weight504.77 g/mol
Exact Mass504.43
IUPAC Name2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCN(c1nc(NCCO)nc(N(CC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C27H52N8O/c1-11-34(19-15-24(3,4)32-25(5,6)16-19)22-29-21(28-13-14-36)30-23(31-22)35(12-2)20-17-26(7,8)33-27(9,10)18-20/h19-20,32-33,36H,11-18H2,1-10H3,(H,28,29,30,31)
InChIKeyISJWNYHTAYAVTH-UHFFFAOYSA-N
XLogP3.55
TPSA101.47 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.77
LogP ≤ 53.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol (CID 15250401) is 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol is CCN(c1nc(NCCO)nc(N(CC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is ISJWNYHTAYAVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H52N8O/c1-11-34(19-15-24(3,4)32-25(5,6)16-19)22-29-21(28-13-14-36)30-23(31-22)35(12-2)20-17-26(7,8)33-27(9,10)18-20/h19-20,32-33,36H,11-18H2,1-10H3,(H,28,29,30,31).
What are the key properties of 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 504.77 g/mol, XLogP of 3.55, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 15250401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).