2,3-dimethylbutanedioic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol

C17H33NO6 — CID 158949266

IUPAC2,3-dimethylbutanedioic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC(C(=O)O)C(C)C(=O)O.CC1(C)CC(O)CC(C)(C)N1CCO
InChIInChI=1S/C11H23NO2.C6H10O4/c1-10(2)7-9(14)8-11(3,4)12(10)5-6-13;1-3(5(7)8)4(2)6(9)10/h9,13-14H,5-8H2,1-4H3;3-4H,1-2H3,(H,7,8)(H,9,10)
InChIKeyJLFHPOMKRRJJFU-UHFFFAOYSA-N
MW347.45 g/mol
LogP1.42
Rot. Bonds5

About 2,3-dimethylbutanedioic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol

2,3-dimethylbutanedioic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 158949266) has the molecular formula C17H33NO6 and a molecular weight of 347.45 g/mol. Its IUPAC name is 2,3-dimethylbutanedioic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name2,3-dimethylbutanedioic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID158949266
Molecular FormulaC17H33NO6
Molecular Weight347.45 g/mol
Exact Mass347.23
IUPAC Name2,3-dimethylbutanedioic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC(C(=O)O)C(C)C(=O)O.CC1(C)CC(O)CC(C)(C)N1CCO
InChIInChI=1S/C11H23NO2.C6H10O4/c1-10(2)7-9(14)8-11(3,4)12(10)5-6-13;1-3(5(7)8)4(2)6(9)10/h9,13-14H,5-8H2,1-4H3;3-4H,1-2H3,(H,7,8)(H,9,10)
InChIKeyJLFHPOMKRRJJFU-UHFFFAOYSA-N
XLogP1.42
TPSA118.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2,3-dimethylbutanedioic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol with MolForge

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Related Compounds

butane-1,2,3,4-tetracarboxylic acid;1,2,2,6,6-pentamethylpiperidin-4-ol
CID 67948772
2-[4-(aminomethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethanol
CID 176904573
cyclohex-4-ene-1,2-dicarboxylic acid;1-dodecyl-2,2,6,6-tetramethylpiperidin-4-ol
CID 70599265
1,3-bis[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]imidazolidin-2-one
CID 23451960
2-(4-ethoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethanol
CID 174827050
butanedioic acid;1-(2-hydroxy-2-methylpropyl)-2,2,6,6-tetramethylpiperidin-4-ol
CID 126506371
2-(4-butyl-2,2,6,6-tetramethylpiperidin-1-yl)ethanol
CID 139677886
2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylhept-5-ynoate
CID 146366977
4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl but-2-enedioate
CID 123594724
2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-oxocyclopropane-1-carboxylate
CID 129289120
ethyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propanoate
CID 102280633
diethyl 2-[4-hydroxy-1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-3-yl]butanedioate
CID 141122067

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutanedioic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 2,3-dimethylbutanedioic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol (CID 158949266) is 2,3-dimethylbutanedioic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 2,3-dimethylbutanedioic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 2,3-dimethylbutanedioic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol is CC(C(=O)O)C(C)C(=O)O.CC1(C)CC(O)CC(C)(C)N1CCO.
What is the InChIKey of 2,3-dimethylbutanedioic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is JLFHPOMKRRJJFU-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;1-3(5(7)8)4(2)6(9)10/h9,13-14H,5-8H2,1-4H3;3-4H,1-2H3,(H,7,8)(H,9,10).
What are the key properties of 2,3-dimethylbutanedioic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol?
2,3-dimethylbutanedioic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 347.45 g/mol, XLogP of 1.42, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutanedioic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 158949266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).