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

C46H89N9O3 — CID 90347327

IUPAC2-[4-[butyl-[4-[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol
SMILESCCCCN(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(O)C(C)(C)C1
InChIInChI=1S/C46H89N9O3/c1-16-19-22-50(35-29-41(4,5)53(25-27-56)42(6,7)30-35)38-47-39(51(23-20-17-2)36-31-43(8,9)54(26-28-57)44(10,11)32-36)49-40(48-38)52(24-21-18-3)37-33-45(12,13)55(58)46(14,15)34-37/h35-37,56-58H,16-34H2,1-15H3
InChIKeyVNJUSORCQKRLPI-UHFFFAOYSA-N
MW816.28 g/mol
LogP8.13
Rot. Bonds19

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

2-[4-[butyl-[4-[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol (PubChem CID 90347327) has the molecular formula C46H89N9O3 and a molecular weight of 816.28 g/mol. Its IUPAC name is 2-[4-[butyl-[4-[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[butyl-[4-[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol
PubChem CID90347327
Molecular FormulaC46H89N9O3
Molecular Weight816.28 g/mol
Exact Mass815.71
IUPAC Name2-[4-[butyl-[4-[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol
SMILESCCCCN(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(O)C(C)(C)C1
InChIInChI=1S/C46H89N9O3/c1-16-19-22-50(35-29-41(4,5)53(25-27-56)42(6,7)30-35)38-47-39(51(23-20-17-2)36-31-43(8,9)54(26-28-57)44(10,11)32-36)49-40(48-38)52(24-21-18-3)37-33-45(12,13)55(58)46(14,15)34-37/h35-37,56-58H,16-34H2,1-15H3
InChIKeyVNJUSORCQKRLPI-UHFFFAOYSA-N
XLogP8.13
TPSA118.80 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500816.28
LogP ≤ 58.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-[4-[butyl-[4-[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-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-[butyl-[4-[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[butyl-[4-[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol (CID 90347327) is 2-[4-[butyl-[4-[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[butyl-[4-[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[butyl-[4-[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol is CCCCN(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(O)C(C)(C)C1.
What is the InChIKey of 2-[4-[butyl-[4-[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol?
The InChIKey is VNJUSORCQKRLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H89N9O3/c1-16-19-22-50(35-29-41(4,5)53(25-27-56)42(6,7)30-35)38-47-39(51(23-20-17-2)36-31-43(8,9)54(26-28-57)44(10,11)32-36)49-40(48-38)52(24-21-18-3)37-33-45(12,13)55(58)46(14,15)34-37/h35-37,56-58H,16-34H2,1-15H3.
What are the key properties of 2-[4-[butyl-[4-[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol?
2-[4-[butyl-[4-[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol has a molecular weight of 816.28 g/mol, XLogP of 8.13, 19 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[butyl-[4-[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-[butyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol is sourced from PubChem (CID 90347327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).