(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl) acetate chloride

C11H22ClNO3 — CID 139244695

IUPAC(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl) acetate chloride
SMILESCC(=O)OC1CC(C)(C)[NH+](O)C(C)(C)C1.[Cl-]
InChIInChI=1S/C11H21NO3.ClH/c1-8(13)15-9-6-10(2,3)12(14)11(4,5)7-9;/h9,14H,6-7H2,1-5H3;1H
InChIKeyVYRDMNGQXYNKIL-UHFFFAOYSA-N
MW251.75 g/mol
LogP-2.45
Rot. Bonds1

About (1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl) acetate chloride

(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl) acetate chloride (PubChem CID 139244695) has the molecular formula C11H22ClNO3 and a molecular weight of 251.75 g/mol. Its IUPAC name is (1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl) acetate chloride.

Molecular Properties

Compound Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl) acetate chloride
PubChem CID139244695
Molecular FormulaC11H22ClNO3
Molecular Weight251.75 g/mol
Exact Mass251.13
IUPAC Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl) acetate chloride
SMILESCC(=O)OC1CC(C)(C)[NH+](O)C(C)(C)C1.[Cl-]
InChIInChI=1S/C11H21NO3.ClH/c1-8(13)15-9-6-10(2,3)12(14)11(4,5)7-9;/h9,14H,6-7H2,1-5H3;1H
InChIKeyVYRDMNGQXYNKIL-UHFFFAOYSA-N
XLogP-2.45
TPSA50.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.75
LogP ≤ 5-2.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl) acetate chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl) acetate chloride?
The IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl) acetate chloride (CID 139244695) is (1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl) acetate chloride.
What is the SMILES notation for (1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl) acetate chloride?
The canonical SMILES for (1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl) acetate chloride is CC(=O)OC1CC(C)(C)[NH+](O)C(C)(C)C1.[Cl-].
What is the InChIKey of (1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl) acetate chloride?
The InChIKey is VYRDMNGQXYNKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3.ClH/c1-8(13)15-9-6-10(2,3)12(14)11(4,5)7-9;/h9,14H,6-7H2,1-5H3;1H.
What are the key properties of (1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl) acetate chloride?
(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl) acetate chloride has a molecular weight of 251.75 g/mol, XLogP of -2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl) acetate chloride is sourced from PubChem (CID 139244695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).