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

C48H93N9O3 — CID 22970666

IUPAC2-[4-[[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-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(CCO)C(C)(C)C1
InChIInChI=1S/C48H93N9O3/c1-16-19-22-52(37-31-43(4,5)55(25-28-58)44(6,7)32-37)40-49-41(53(23-20-17-2)38-33-45(8,9)56(26-29-59)46(10,11)34-38)51-42(50-40)54(24-21-18-3)39-35-47(12,13)57(27-30-60)48(14,15)36-39/h37-39,58-60H,16-36H2,1-15H3
InChIKeyLUSLAELTROSENX-UHFFFAOYSA-N
MW844.33 g/mol
LogP7.73
Rot. Bonds21

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

2-[4-[[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol (PubChem CID 22970666) has the molecular formula C48H93N9O3 and a molecular weight of 844.33 g/mol. Its IUPAC name is 2-[4-[[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol
PubChem CID22970666
Molecular FormulaC48H93N9O3
Molecular Weight844.33 g/mol
Exact Mass843.74
IUPAC Name2-[4-[[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-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(CCO)C(C)(C)C1
InChIInChI=1S/C48H93N9O3/c1-16-19-22-52(37-31-43(4,5)55(25-28-58)44(6,7)32-37)40-49-41(53(23-20-17-2)38-33-45(8,9)56(26-29-59)46(10,11)34-38)51-42(50-40)54(24-21-18-3)39-35-47(12,13)57(27-30-60)48(14,15)36-39/h37-39,58-60H,16-36H2,1-15H3
InChIKeyLUSLAELTROSENX-UHFFFAOYSA-N
XLogP7.73
TPSA118.80 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500844.33
LogP ≤ 57.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-[4-[[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol (CID 22970666) is 2-[4-[[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-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(CCO)C(C)(C)C1.
What is the InChIKey of 2-[4-[[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol?
The InChIKey is LUSLAELTROSENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H93N9O3/c1-16-19-22-52(37-31-43(4,5)55(25-28-58)44(6,7)32-37)40-49-41(53(23-20-17-2)38-33-45(8,9)56(26-29-59)46(10,11)34-38)51-42(50-40)54(24-21-18-3)39-35-47(12,13)57(27-30-60)48(14,15)36-39/h37-39,58-60H,16-36H2,1-15H3.
What are the key properties of 2-[4-[[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol?
2-[4-[[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol has a molecular weight of 844.33 g/mol, XLogP of 7.73, 21 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4,6-bis[butyl-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,3,5-triazin-2-yl]-butylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol is sourced from PubChem (CID 22970666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).