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

C32H62N8O — CID 18993528

IUPAC2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-methylamino]ethanol
SMILESCCCCN(c1nc(N(C)CCO)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C32H62N8O/c1-12-14-16-39(24-20-29(3,4)36-30(5,6)21-24)27-33-26(38(11)18-19-41)34-28(35-27)40(17-15-13-2)25-22-31(7,8)37-32(9,10)23-25/h24-25,36-37,41H,12-23H2,1-11H3
InChIKeyBDARHZAILAHQSO-UHFFFAOYSA-N
MW574.90 g/mol
LogP5.13
Rot. Bonds13

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

2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-methylamino]ethanol (PubChem CID 18993528) has the molecular formula C32H62N8O and a molecular weight of 574.90 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]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-methylamino]ethanol
PubChem CID18993528
Molecular FormulaC32H62N8O
Molecular Weight574.90 g/mol
Exact Mass574.50
IUPAC Name2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-methylamino]ethanol
SMILESCCCCN(c1nc(N(C)CCO)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C32H62N8O/c1-12-14-16-39(24-20-29(3,4)36-30(5,6)21-24)27-33-26(38(11)18-19-41)34-28(35-27)40(17-15-13-2)25-22-31(7,8)37-32(9,10)23-25/h24-25,36-37,41H,12-23H2,1-11H3
InChIKeyBDARHZAILAHQSO-UHFFFAOYSA-N
XLogP5.13
TPSA92.68 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.90
LogP ≤ 55.13
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]-methylamino]ethanol?
The IUPAC name of 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-methylamino]ethanol (CID 18993528) is 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-methylamino]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]-methylamino]ethanol?
The canonical SMILES for 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-methylamino]ethanol is CCCCN(c1nc(N(C)CCO)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]-methylamino]ethanol?
The InChIKey is BDARHZAILAHQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62N8O/c1-12-14-16-39(24-20-29(3,4)36-30(5,6)21-24)27-33-26(38(11)18-19-41)34-28(35-27)40(17-15-13-2)25-22-31(7,8)37-32(9,10)23-25/h24-25,36-37,41H,12-23H2,1-11H3.
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]-methylamino]ethanol?
2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-methylamino]ethanol has a molecular weight of 574.90 g/mol, XLogP of 5.13, 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]-methylamino]ethanol is sourced from PubChem (CID 18993528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).