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

C47H91N9O2 — CID 21348314

IUPAC2-[4-[butyl-[4-[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-[butyl-(1,2,2,6,6-pentamethylpiperidin-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(C)C(C)(C)C1
InChIInChI=1S/C47H91N9O2/c1-17-20-23-52(36-30-42(4,5)51(16)43(6,7)31-36)39-48-40(53(24-21-18-2)37-32-44(8,9)55(26-28-57)45(10,11)33-37)50-41(49-39)54(25-22-19-3)38-34-46(12,13)56(27-29-58)47(14,15)35-38/h36-38,57-58H,17-35H2,1-16H3
InChIKeyAZDCONJLDDAPGQ-UHFFFAOYSA-N
MW814.31 g/mol
LogP8.37
Rot. Bonds19

About 2-[4-[butyl-[4-[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-[butyl-(1,2,2,6,6-pentamethylpiperidin-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-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol (PubChem CID 21348314) has the molecular formula C47H91N9O2 and a molecular weight of 814.31 g/mol. Its IUPAC name is 2-[4-[butyl-[4-[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-[butyl-(1,2,2,6,6-pentamethylpiperidin-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-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol
PubChem CID21348314
Molecular FormulaC47H91N9O2
Molecular Weight814.31 g/mol
Exact Mass813.73
IUPAC Name2-[4-[butyl-[4-[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-[butyl-(1,2,2,6,6-pentamethylpiperidin-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(C)C(C)(C)C1
InChIInChI=1S/C47H91N9O2/c1-17-20-23-52(36-30-42(4,5)51(16)43(6,7)31-36)39-48-40(53(24-21-18-2)37-32-44(8,9)55(26-28-57)45(10,11)33-37)50-41(49-39)54(25-22-19-3)38-34-46(12,13)56(27-29-58)47(14,15)35-38/h36-38,57-58H,17-35H2,1-16H3
InChIKeyAZDCONJLDDAPGQ-UHFFFAOYSA-N
XLogP8.37
TPSA98.57 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500814.31
LogP ≤ 58.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-[4-[butyl-[4-[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-[butyl-(1,2,2,6,6-pentamethylpiperidin-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-(1,2,2,6,6-pentamethylpiperidin-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-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol (CID 21348314) is 2-[4-[butyl-[4-[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-[butyl-(1,2,2,6,6-pentamethylpiperidin-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-(1,2,2,6,6-pentamethylpiperidin-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-(1,2,2,6,6-pentamethylpiperidin-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(C)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-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol?
The InChIKey is AZDCONJLDDAPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H91N9O2/c1-17-20-23-52(36-30-42(4,5)51(16)43(6,7)31-36)39-48-40(53(24-21-18-2)37-32-44(8,9)55(26-28-57)45(10,11)33-37)50-41(49-39)54(25-22-19-3)38-34-46(12,13)56(27-29-58)47(14,15)35-38/h36-38,57-58H,17-35H2,1-16H3.
What are the key properties of 2-[4-[butyl-[4-[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-[butyl-(1,2,2,6,6-pentamethylpiperidin-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-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol has a molecular weight of 814.31 g/mol, XLogP of 8.37, 19 rotatable bonds, 2 hydrogen bond donors, and 11 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-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol is sourced from PubChem (CID 21348314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).