diethyl 2-[4-hydroxy-1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-3-yl]butanedioate

C19H35NO6 — CID 141122067

IUPACdiethyl 2-[4-hydroxy-1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-3-yl]butanedioate
SMILESCCOC(=O)CC(C(=O)OCC)C1C(O)CC(C)(C)N(CCO)C1(C)C
InChIInChI=1S/C19H35NO6/c1-7-25-15(23)11-13(17(24)26-8-2)16-14(22)12-18(3,4)20(9-10-21)19(16,5)6/h13-14,16,21-22H,7-12H2,1-6H3
InChIKeyBZRWCXYIDFFGCS-UHFFFAOYSA-N
MW373.49 g/mol
LogP1.35
Rot. Bonds8

About diethyl 2-[4-hydroxy-1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-3-yl]butanedioate

diethyl 2-[4-hydroxy-1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-3-yl]butanedioate (PubChem CID 141122067) has the molecular formula C19H35NO6 and a molecular weight of 373.49 g/mol. Its IUPAC name is diethyl 2-[4-hydroxy-1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-3-yl]butanedioate.

Molecular Properties

Compound Namediethyl 2-[4-hydroxy-1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-3-yl]butanedioate
PubChem CID141122067
Molecular FormulaC19H35NO6
Molecular Weight373.49 g/mol
Exact Mass373.25
IUPAC Namediethyl 2-[4-hydroxy-1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-3-yl]butanedioate
SMILESCCOC(=O)CC(C(=O)OCC)C1C(O)CC(C)(C)N(CCO)C1(C)C
InChIInChI=1S/C19H35NO6/c1-7-25-15(23)11-13(17(24)26-8-2)16-14(22)12-18(3,4)20(9-10-21)19(16,5)6/h13-14,16,21-22H,7-12H2,1-6H3
InChIKeyBZRWCXYIDFFGCS-UHFFFAOYSA-N
XLogP1.35
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-ethoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethanol
CID 174827050
diethyl butanedioate;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol
CID 67825631
ethyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propanoate
CID 102280633
2-[4-(aminomethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethanol
CID 176904573
2-(4-butyl-2,2,6,6-tetramethylpiperidin-1-yl)ethanol
CID 139677886
ethyl 3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]butanoate
CID 79411173
ethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutanoate
CID 106668262
diethyl 2-(2-oxocyclohexyl)butanedioate
CID 6636230
CID 58729260
CID 58729260
ethyl 3-(2,2-dimethylpyrrolidin-1-yl)butanoate
CID 63219741
ethyl (2S)-2-deuterio-2-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]propanoate
CID 10703255
6-ethoxy-3,4-bis(ethoxycarbonyl)-6-oxohexanoic acid
CID 18705246

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[4-hydroxy-1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-3-yl]butanedioate?
The IUPAC name of diethyl 2-[4-hydroxy-1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-3-yl]butanedioate (CID 141122067) is diethyl 2-[4-hydroxy-1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-3-yl]butanedioate.
What is the SMILES notation for diethyl 2-[4-hydroxy-1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-3-yl]butanedioate?
The canonical SMILES for diethyl 2-[4-hydroxy-1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-3-yl]butanedioate is CCOC(=O)CC(C(=O)OCC)C1C(O)CC(C)(C)N(CCO)C1(C)C.
What is the InChIKey of diethyl 2-[4-hydroxy-1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-3-yl]butanedioate?
The InChIKey is BZRWCXYIDFFGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO6/c1-7-25-15(23)11-13(17(24)26-8-2)16-14(22)12-18(3,4)20(9-10-21)19(16,5)6/h13-14,16,21-22H,7-12H2,1-6H3.
What are the key properties of diethyl 2-[4-hydroxy-1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-3-yl]butanedioate?
diethyl 2-[4-hydroxy-1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-3-yl]butanedioate has a molecular weight of 373.49 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[4-hydroxy-1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-3-yl]butanedioate is sourced from PubChem (CID 141122067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).