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

C11H23ClN2O2 — CID 139244689

IUPACN-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide chloride
SMILESCC(=O)NC1CC(C)(C)[NH+](O)C(C)(C)C1.[Cl-]
InChIInChI=1S/C11H22N2O2.ClH/c1-8(14)12-9-6-10(2,3)13(15)11(4,5)7-9;/h9,15H,6-7H2,1-5H3,(H,12,14);1H
InChIKeyQCOPFKMMQQLHCY-UHFFFAOYSA-N
MW250.77 g/mol
LogP-2.88
Rot. Bonds1

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

N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide chloride (PubChem CID 139244689) has the molecular formula C11H23ClN2O2 and a molecular weight of 250.77 g/mol. Its IUPAC name is N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide chloride.

Molecular Properties

Compound NameN-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide chloride
PubChem CID139244689
Molecular FormulaC11H23ClN2O2
Molecular Weight250.77 g/mol
Exact Mass250.14
IUPAC NameN-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide chloride
SMILESCC(=O)NC1CC(C)(C)[NH+](O)C(C)(C)C1.[Cl-]
InChIInChI=1S/C11H22N2O2.ClH/c1-8(14)12-9-6-10(2,3)13(15)11(4,5)7-9;/h9,15H,6-7H2,1-5H3,(H,12,14);1H
InChIKeyQCOPFKMMQQLHCY-UHFFFAOYSA-N
XLogP-2.88
TPSA53.77 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 5-2.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide chloride?
The IUPAC name of N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide chloride (CID 139244689) is N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide chloride.
What is the SMILES notation for N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide chloride?
The canonical SMILES for N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide chloride is CC(=O)NC1CC(C)(C)[NH+](O)C(C)(C)C1.[Cl-].
What is the InChIKey of N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide chloride?
The InChIKey is QCOPFKMMQQLHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.ClH/c1-8(14)12-9-6-10(2,3)13(15)11(4,5)7-9;/h9,15H,6-7H2,1-5H3,(H,12,14);1H.
What are the key properties of N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide chloride?
N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide chloride has a molecular weight of 250.77 g/mol, XLogP of -2.88, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide chloride is sourced from PubChem (CID 139244689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).