1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylic acid chloride

C10H20ClNO3 — CID 139244692

IUPAC1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylic acid chloride
SMILESCC1(C)CC(C(=O)O)CC(C)(C)[NH+]1O.[Cl-]
InChIInChI=1S/C10H19NO3.ClH/c1-9(2)5-7(8(12)13)6-10(3,4)11(9)14;/h7,14H,5-6H2,1-4H3,(H,12,13);1H
InChIKeyOXSRSGIJDWLMBO-UHFFFAOYSA-N
MW237.73 g/mol
LogP-2.68
Rot. Bonds1

About 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylic acid chloride

1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylic acid chloride (PubChem CID 139244692) has the molecular formula C10H20ClNO3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylic acid chloride.

Molecular Properties

Compound Name1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylic acid chloride
PubChem CID139244692
Molecular FormulaC10H20ClNO3
Molecular Weight237.73 g/mol
Exact Mass237.11
IUPAC Name1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylic acid chloride
SMILESCC1(C)CC(C(=O)O)CC(C)(C)[NH+]1O.[Cl-]
InChIInChI=1S/C10H19NO3.ClH/c1-9(2)5-7(8(12)13)6-10(3,4)11(9)14;/h7,14H,5-6H2,1-4H3,(H,12,13);1H
InChIKeyOXSRSGIJDWLMBO-UHFFFAOYSA-N
XLogP-2.68
TPSA61.97 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 5-2.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylic acid chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tempo carboxylic acid
CID 3080786
2,2,6,6-Tetramethylpiperidine-n-oxyl-4-amino-4-carboxylic acid
CID 167486
4-Piperidinecarboxylic acid, 2,2,6,6-tetramethyl-
CID 103446
4-Amino-1-oxyl-2,2,6,6-tetramethylpiperidine-4-carboxylic acid
CID 428497
4-Piperidinecarboxylic acid, 2,2,6,6-tetramethyl-, methyl ester
CID 93960
1-Hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylic acid
CID 688186
1-Methoxy-2,2,6,6-tetramethyl piperidine-4-carboxylate
CID 17953313
4-Carboxylate-2,2,6,6-tetramethylpiperidine-N-oxyl
CID 71297228
Ethyl 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylate chloride
CID 139244693
1-(Fluoromethoxy)-2,2,6,6-tetramethylpiperidine-4-carboxylic acid
CID 122395585
Methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 3367709
4-Azaniumyl-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 7157171

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylic acid chloride?
The IUPAC name of 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylic acid chloride (CID 139244692) is 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylic acid chloride.
What is the SMILES notation for 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylic acid chloride?
The canonical SMILES for 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylic acid chloride is CC1(C)CC(C(=O)O)CC(C)(C)[NH+]1O.[Cl-].
What is the InChIKey of 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylic acid chloride?
The InChIKey is OXSRSGIJDWLMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.ClH/c1-9(2)5-7(8(12)13)6-10(3,4)11(9)14;/h7,14H,5-6H2,1-4H3,(H,12,13);1H.
What are the key properties of 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylic acid chloride?
1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylic acid chloride has a molecular weight of 237.73 g/mol, XLogP of -2.68, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylic acid chloride is sourced from PubChem (CID 139244692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).