dimethyl butanedioate;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol

C17H33NO6 — CID 22069543

IUPACdimethyl butanedioate;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1CCO.COC(=O)CCC(=O)OC
InChIInChI=1S/C11H23NO2.C6H10O4/c1-10(2)7-9(14)8-11(3,4)12(10)5-6-13;1-9-5(7)3-4-6(8)10-2/h9,13-14H,5-8H2,1-4H3;3-4H2,1-2H3
InChIKeyJFHGLVIOIANSIN-UHFFFAOYSA-N
MW347.45 g/mol
LogP1.11
Rot. Bonds5

About dimethyl butanedioate;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol

dimethyl butanedioate;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 22069543) has the molecular formula C17H33NO6 and a molecular weight of 347.45 g/mol. Its IUPAC name is dimethyl butanedioate;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Namedimethyl butanedioate;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID22069543
Molecular FormulaC17H33NO6
Molecular Weight347.45 g/mol
Exact Mass347.23
IUPAC Namedimethyl butanedioate;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1CCO.COC(=O)CCC(=O)OC
InChIInChI=1S/C11H23NO2.C6H10O4/c1-10(2)7-9(14)8-11(3,4)12(10)5-6-13;1-9-5(7)3-4-6(8)10-2/h9,13-14H,5-8H2,1-4H3;3-4H2,1-2H3
InChIKeyJFHGLVIOIANSIN-UHFFFAOYSA-N
XLogP1.11
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl butanedioate;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of dimethyl butanedioate;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol (CID 22069543) is dimethyl butanedioate;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for dimethyl butanedioate;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for dimethyl butanedioate;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol is CC1(C)CC(O)CC(C)(C)N1CCO.COC(=O)CCC(=O)OC.
What is the InChIKey of dimethyl butanedioate;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is JFHGLVIOIANSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2.C6H10O4/c1-10(2)7-9(14)8-11(3,4)12(10)5-6-13;1-9-5(7)3-4-6(8)10-2/h9,13-14H,5-8H2,1-4H3;3-4H2,1-2H3.
What are the key properties of dimethyl butanedioate;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol?
dimethyl butanedioate;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 347.45 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl butanedioate;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 22069543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).