sodium 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate

C10H18NNaO3 — CID 157333041

IUPACsodium 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCC1(C)CC(C(=O)[O-])CC(C)(C)N1O.[Na+]
InChIInChI=1S/C10H19NO3.Na/c1-9(2)5-7(8(12)13)6-10(3,4)11(9)14;/h7,14H,5-6H2,1-4H3,(H,12,13);/q;+1/p-1
InChIKeyATFBEZARSAMYAA-UHFFFAOYSA-M
MW223.25 g/mol
LogP-2.60
Rot. Bonds1

About sodium 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate

sodium 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate (PubChem CID 157333041) has the molecular formula C10H18NNaO3 and a molecular weight of 223.25 g/mol. Its IUPAC name is sodium 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate.

Molecular Properties

Compound Namesodium 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
PubChem CID157333041
Molecular FormulaC10H18NNaO3
Molecular Weight223.25 g/mol
Exact Mass223.12
IUPAC Namesodium 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCC1(C)CC(C(=O)[O-])CC(C)(C)N1O.[Na+]
InChIInChI=1S/C10H19NO3.Na/c1-9(2)5-7(8(12)13)6-10(3,4)11(9)14;/h7,14H,5-6H2,1-4H3,(H,12,13);/q;+1/p-1
InChIKeyATFBEZARSAMYAA-UHFFFAOYSA-M
XLogP-2.60
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 5-2.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Carboxylate-2,2,6,6-tetramethylpiperidine-N-oxyl
CID 71297228
methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 3367709
1-hydroxy-2,2,7,7-tetramethylazepane-4-carboxylic acid
CID 18522538
1-hydroxy-2,2,4,6,6-pentamethylpiperidine
CID 162143693
4-ethynyl-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 154315687
N-(3,5-ditert-butyl-4-hydroxyphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;hydron;chloride
CID 87689920
2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 66687478
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate
CID 20626758
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol);sulfuric acid
CID 173256440
(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid
CID 854503
1-hydroxy-N,2,2,6,6-pentamethylpiperidin-4-amine
CID 11853021
1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) pentanedioate
CID 158347381

Frequently Asked Questions

What is the IUPAC name of sodium 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The IUPAC name of sodium 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate (CID 157333041) is sodium 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate.
What is the SMILES notation for sodium 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The canonical SMILES for sodium 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate is CC1(C)CC(C(=O)[O-])CC(C)(C)N1O.[Na+].
What is the InChIKey of sodium 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The InChIKey is ATFBEZARSAMYAA-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19NO3.Na/c1-9(2)5-7(8(12)13)6-10(3,4)11(9)14;/h7,14H,5-6H2,1-4H3,(H,12,13);/q;+1/p-1.
What are the key properties of sodium 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate?
sodium 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate has a molecular weight of 223.25 g/mol, XLogP of -2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate is sourced from PubChem (CID 157333041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).