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

C39H75N9O3 — CID 20870638

IUPAC2-[4-[[4,6-bis[[1-(2-hydroxyethyl)-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(CCO)C(C)(C)C2)nc(N(C)C2CC(C)(C)N(CCO)C(C)(C)C2)n1)C1CC(C)(C)N(CCO)C(C)(C)C1
InChIInChI=1S/C39H75N9O3/c1-34(2)22-28(23-35(3,4)46(34)16-19-49)43(13)31-40-32(44(14)29-24-36(5,6)47(17-20-50)37(7,8)25-29)42-33(41-31)45(15)30-26-38(9,10)48(18-21-51)39(11,12)27-30/h28-30,49-51H,16-27H2,1-15H3
InChIKeyDCZBKCHSNQOJGS-UHFFFAOYSA-N
MW718.09 g/mol
LogP4.22
Rot. Bonds12

About 2-[4-[[4,6-bis[[1-(2-hydroxyethyl)-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-(2-hydroxyethyl)-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 20870638) has the molecular formula C39H75N9O3 and a molecular weight of 718.09 g/mol. Its IUPAC name is 2-[4-[[4,6-bis[[1-(2-hydroxyethyl)-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-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-1,3,5-triazin-2-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol
PubChem CID20870638
Molecular FormulaC39H75N9O3
Molecular Weight718.09 g/mol
Exact Mass717.60
IUPAC Name2-[4-[[4,6-bis[[1-(2-hydroxyethyl)-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(CCO)C(C)(C)C2)nc(N(C)C2CC(C)(C)N(CCO)C(C)(C)C2)n1)C1CC(C)(C)N(CCO)C(C)(C)C1
InChIInChI=1S/C39H75N9O3/c1-34(2)22-28(23-35(3,4)46(34)16-19-49)43(13)31-40-32(44(14)29-24-36(5,6)47(17-20-50)37(7,8)25-29)42-33(41-31)45(15)30-26-38(9,10)48(18-21-51)39(11,12)27-30/h28-30,49-51H,16-27H2,1-15H3
InChIKeyDCZBKCHSNQOJGS-UHFFFAOYSA-N
XLogP4.22
TPSA118.80 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.09
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-[4-[[4,6-bis[[1-(2-hydroxyethyl)-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-(2-hydroxyethyl)-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-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]-methylamino]-1,3,5-triazin-2-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol (CID 20870638) is 2-[4-[[4,6-bis[[1-(2-hydroxyethyl)-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-(2-hydroxyethyl)-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-(2-hydroxyethyl)-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(CCO)C(C)(C)C2)nc(N(C)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[[1-(2-hydroxyethyl)-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 DCZBKCHSNQOJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H75N9O3/c1-34(2)22-28(23-35(3,4)46(34)16-19-49)43(13)31-40-32(44(14)29-24-36(5,6)47(17-20-50)37(7,8)25-29)42-33(41-31)45(15)30-26-38(9,10)48(18-21-51)39(11,12)27-30/h28-30,49-51H,16-27H2,1-15H3.
What are the key properties of 2-[4-[[4,6-bis[[1-(2-hydroxyethyl)-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-(2-hydroxyethyl)-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 718.09 g/mol, XLogP of 4.22, 12 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-(2-hydroxyethyl)-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 20870638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).