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

C45H84N8O4 — CID 15218745

IUPAC2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
SMILESCCCCN(c1nc(N(CCO)CCO)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C45H84N8O4/c1-11-13-25-50(35-31-42(3,4)52(43(5,6)32-35)56-37-21-17-15-18-22-37)40-46-39(49(27-29-54)28-30-55)47-41(48-40)51(26-14-12-2)36-33-44(7,8)53(45(9,10)34-36)57-38-23-19-16-20-24-38/h35-38,54-55H,11-34H2,1-10H3
InChIKeyYSNHIFDTKFOOER-UHFFFAOYSA-N
MW801.22 g/mol
LogP8.45
Rot. Bonds19

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

2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 15218745) has the molecular formula C45H84N8O4 and a molecular weight of 801.22 g/mol. Its IUPAC name is 2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
PubChem CID15218745
Molecular FormulaC45H84N8O4
Molecular Weight801.22 g/mol
Exact Mass800.66
IUPAC Name2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
SMILESCCCCN(c1nc(N(CCO)CCO)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C45H84N8O4/c1-11-13-25-50(35-31-42(3,4)52(43(5,6)32-35)56-37-21-17-15-18-22-37)40-46-39(49(27-29-54)28-30-55)47-41(48-40)51(26-14-12-2)36-33-44(7,8)53(45(9,10)34-36)57-38-23-19-16-20-24-38/h35-38,54-55H,11-34H2,1-10H3
InChIKeyYSNHIFDTKFOOER-UHFFFAOYSA-N
XLogP8.45
TPSA113.79 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500801.22
LogP ≤ 58.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol (CID 15218745) is 2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol is CCCCN(c1nc(N(CCO)CCO)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1.
What is the InChIKey of 2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is YSNHIFDTKFOOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H84N8O4/c1-11-13-25-50(35-31-42(3,4)52(43(5,6)32-35)56-37-21-17-15-18-22-37)40-46-39(49(27-29-54)28-30-55)47-41(48-40)51(26-14-12-2)36-33-44(7,8)53(45(9,10)34-36)57-38-23-19-16-20-24-38/h35-38,54-55H,11-34H2,1-10H3.
What are the key properties of 2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 801.22 g/mol, XLogP of 8.45, 19 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 15218745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).