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

C35H68N8O4 — CID 19090243

IUPAC2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
SMILESCCCC(Nc1nc(NC(CCC)C2CC(C)(C)N(OC)C(C)(C)C2)nc(N(CCO)CCO)n1)C1CC(C)(C)N(OC)C(C)(C)C1
InChIInChI=1S/C35H68N8O4/c1-13-15-27(25-21-32(3,4)42(46-11)33(5,6)22-25)36-29-38-30(40-31(39-29)41(17-19-44)18-20-45)37-28(16-14-2)26-23-34(7,8)43(47-12)35(9,10)24-26/h25-28,44-45H,13-24H2,1-12H3,(H2,36,37,38,39,40)
InChIKeyGJCBQWZCABHMPS-UHFFFAOYSA-N
MW664.98 g/mol
LogP5.49
Rot. Bonds17

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

2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 19090243) has the molecular formula C35H68N8O4 and a molecular weight of 664.98 g/mol. Its IUPAC name is 2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
PubChem CID19090243
Molecular FormulaC35H68N8O4
Molecular Weight664.98 g/mol
Exact Mass664.54
IUPAC Name2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
SMILESCCCC(Nc1nc(NC(CCC)C2CC(C)(C)N(OC)C(C)(C)C2)nc(N(CCO)CCO)n1)C1CC(C)(C)N(OC)C(C)(C)C1
InChIInChI=1S/C35H68N8O4/c1-13-15-27(25-21-32(3,4)42(46-11)33(5,6)22-25)36-29-38-30(40-31(39-29)41(17-19-44)18-20-45)37-28(16-14-2)26-23-34(7,8)43(47-12)35(9,10)24-26/h25-28,44-45H,13-24H2,1-12H3,(H2,36,37,38,39,40)
InChIKeyGJCBQWZCABHMPS-UHFFFAOYSA-N
XLogP5.49
TPSA131.37 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500664.98
LogP ≤ 55.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol (CID 19090243) is 2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol is CCCC(Nc1nc(NC(CCC)C2CC(C)(C)N(OC)C(C)(C)C2)nc(N(CCO)CCO)n1)C1CC(C)(C)N(OC)C(C)(C)C1.
What is the InChIKey of 2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is GJCBQWZCABHMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H68N8O4/c1-13-15-27(25-21-32(3,4)42(46-11)33(5,6)22-25)36-29-38-30(40-31(39-29)41(17-19-44)18-20-45)37-28(16-14-2)26-23-34(7,8)43(47-12)35(9,10)24-26/h25-28,44-45H,13-24H2,1-12H3,(H2,36,37,38,39,40).
What are the key properties of 2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 664.98 g/mol, XLogP of 5.49, 17 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 19090243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).