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

C48H91N9O — CID 58612488

IUPAC2-[4-[butyl-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol
SMILESC=CCN1C(C)(C)CC(N(CCCC)c2nc(N(CCCC)C3CC(C)(C)N(C)C(C)(C)C3)nc(N(CCCC)C3CC(C)(C)N(CCO)C(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C48H91N9O/c1-18-22-26-53(37-31-43(5,6)52(17)44(7,8)32-37)40-49-41(54(27-23-19-2)38-33-45(9,10)56(25-21-4)46(11,12)34-38)51-42(50-40)55(28-24-20-3)39-35-47(13,14)57(29-30-58)48(15,16)36-39/h21,37-39,58H,4,18-20,22-36H2,1-3,5-17H3
InChIKeyVNELOTKJNWHHPI-UHFFFAOYSA-N
MW810.32 g/mol
LogP9.56
Rot. Bonds19

About 2-[4-[butyl-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol

2-[4-[butyl-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol (PubChem CID 58612488) has the molecular formula C48H91N9O and a molecular weight of 810.32 g/mol. Its IUPAC name is 2-[4-[butyl-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-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-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol
PubChem CID58612488
Molecular FormulaC48H91N9O
Molecular Weight810.32 g/mol
Exact Mass809.73
IUPAC Name2-[4-[butyl-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol
SMILESC=CCN1C(C)(C)CC(N(CCCC)c2nc(N(CCCC)C3CC(C)(C)N(C)C(C)(C)C3)nc(N(CCCC)C3CC(C)(C)N(CCO)C(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C48H91N9O/c1-18-22-26-53(37-31-43(5,6)52(17)44(7,8)32-37)40-49-41(54(27-23-19-2)38-33-45(9,10)56(25-21-4)46(11,12)34-38)51-42(50-40)55(28-24-20-3)39-35-47(13,14)57(29-30-58)48(15,16)36-39/h21,37-39,58H,4,18-20,22-36H2,1-3,5-17H3
InChIKeyVNELOTKJNWHHPI-UHFFFAOYSA-N
XLogP9.56
TPSA78.34 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.32
LogP ≤ 59.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[4-[butyl-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-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-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-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-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol (CID 58612488) is 2-[4-[butyl-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-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-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-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-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol is C=CCN1C(C)(C)CC(N(CCCC)c2nc(N(CCCC)C3CC(C)(C)N(C)C(C)(C)C3)nc(N(CCCC)C3CC(C)(C)N(CCO)C(C)(C)C3)n2)CC1(C)C.
What is the InChIKey of 2-[4-[butyl-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol?
The InChIKey is VNELOTKJNWHHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H91N9O/c1-18-22-26-53(37-31-43(5,6)52(17)44(7,8)32-37)40-49-41(54(27-23-19-2)38-33-45(9,10)56(25-21-4)46(11,12)34-38)51-42(50-40)55(28-24-20-3)39-35-47(13,14)57(29-30-58)48(15,16)36-39/h21,37-39,58H,4,18-20,22-36H2,1-3,5-17H3.
What are the key properties of 2-[4-[butyl-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol?
2-[4-[butyl-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol has a molecular weight of 810.32 g/mol, XLogP of 9.56, 19 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[butyl-[4-[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol is sourced from PubChem (CID 58612488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).