2-[4-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol

C35H67N9O3 — CID 59873146

IUPAC2-[4-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol
SMILESCN(c1nc(N(C)C2CC(C)(C)N(O)C(C)(C)C2)nc(N(C)C2CC(C)(C)N(CCO)C(C)(C)C2)n1)C1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C35H67N9O3/c1-30(2)18-24(19-31(3,4)42(30)16-17-45)39(13)27-36-28(40(14)25-20-32(5,6)43(46)33(7,8)21-25)38-29(37-27)41(15)26-22-34(9,10)44(47)35(11,12)23-26/h24-26,45-47H,16-23H2,1-15H3
InChIKeyGUAVXXAGLQYGCU-UHFFFAOYSA-N
MW661.98 g/mol
LogP5.02
Rot. Bonds8

About 2-[4-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol

2-[4-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol (PubChem CID 59873146) has the molecular formula C35H67N9O3 and a molecular weight of 661.98 g/mol. Its IUPAC name is 2-[4-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol
PubChem CID59873146
Molecular FormulaC35H67N9O3
Molecular Weight661.98 g/mol
Exact Mass661.54
IUPAC Name2-[4-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol
SMILESCN(c1nc(N(C)C2CC(C)(C)N(O)C(C)(C)C2)nc(N(C)C2CC(C)(C)N(CCO)C(C)(C)C2)n1)C1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C35H67N9O3/c1-30(2)18-24(19-31(3,4)42(30)16-17-45)39(13)27-36-28(40(14)25-20-32(5,6)43(46)33(7,8)21-25)38-29(37-27)41(15)26-22-34(9,10)44(47)35(11,12)23-26/h24-26,45-47H,16-23H2,1-15H3
InChIKeyGUAVXXAGLQYGCU-UHFFFAOYSA-N
XLogP5.02
TPSA118.80 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500661.98
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-[4-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-methylamino]-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-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol (CID 59873146) is 2-[4-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol is CN(c1nc(N(C)C2CC(C)(C)N(O)C(C)(C)C2)nc(N(C)C2CC(C)(C)N(CCO)C(C)(C)C2)n1)C1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of 2-[4-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol?
The InChIKey is GUAVXXAGLQYGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H67N9O3/c1-30(2)18-24(19-31(3,4)42(30)16-17-45)39(13)27-36-28(40(14)25-20-32(5,6)43(46)33(7,8)21-25)38-29(37-27)41(15)26-22-34(9,10)44(47)35(11,12)23-26/h24-26,45-47H,16-23H2,1-15H3.
What are the key properties of 2-[4-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol?
2-[4-[[4,6-bis[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol has a molecular weight of 661.98 g/mol, XLogP of 5.02, 8 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[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol is sourced from PubChem (CID 59873146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).