N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide tetrafluoroborate

C11H21BF4N2O2 — CID 2753331

IUPACN-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide tetrafluoroborate
SMILESCC(=O)NC1CC(C)(C)[N+](=O)C(C)(C)C1.F[B-](F)(F)F
InChIInChI=1S/C11H20N2O2.BF4/c1-8(14)12-9-6-10(2,3)13(15)11(4,5)7-9;2-1(3,4)5/h9H,6-7H2,1-5H3;/q;-1/p+1
InChIKeyHTMHEICBCHCWAU-UHFFFAOYSA-O
MW300.11 g/mol
LogP2.92
Rot. Bonds1

About N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide tetrafluoroborate

N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide tetrafluoroborate (PubChem CID 2753331) has the molecular formula C11H21BF4N2O2 and a molecular weight of 300.11 g/mol. Its IUPAC name is N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide tetrafluoroborate.

Molecular Properties

Compound NameN-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide tetrafluoroborate
PubChem CID2753331
Molecular FormulaC11H21BF4N2O2
Molecular Weight300.11 g/mol
Exact Mass300.16
IUPAC NameN-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide tetrafluoroborate
SMILESCC(=O)NC1CC(C)(C)[N+](=O)C(C)(C)C1.F[B-](F)(F)F
InChIInChI=1S/C11H20N2O2.BF4/c1-8(14)12-9-6-10(2,3)13(15)11(4,5)7-9;2-1(3,4)5/h9H,6-7H2,1-5H3;/q;-1/p+1
InChIKeyHTMHEICBCHCWAU-UHFFFAOYSA-O
XLogP2.92
TPSA49.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide tetrafluoroborate?
The IUPAC name of N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide tetrafluoroborate (CID 2753331) is N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide tetrafluoroborate.
What is the SMILES notation for N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide tetrafluoroborate?
The canonical SMILES for N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide tetrafluoroborate is CC(=O)NC1CC(C)(C)[N+](=O)C(C)(C)C1.F[B-](F)(F)F.
What is the InChIKey of N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide tetrafluoroborate?
The InChIKey is HTMHEICBCHCWAU-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H20N2O2.BF4/c1-8(14)12-9-6-10(2,3)13(15)11(4,5)7-9;2-1(3,4)5/h9H,6-7H2,1-5H3;/q;-1/p+1.
What are the key properties of N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide tetrafluoroborate?
N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide tetrafluoroborate has a molecular weight of 300.11 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide tetrafluoroborate is sourced from PubChem (CID 2753331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).