1-(1,1-dimethylpiperidin-1-ium-3-yl)ethanone

C9H18NO+ — CID 134125690

IUPAC1-(1,1-dimethylpiperidin-1-ium-3-yl)ethanone
SMILESCC(=O)C1CCC[N+](C)(C)C1
InChIInChI=1S/C9H18NO/c1-8(11)9-5-4-6-10(2,3)7-9/h9H,4-7H2,1-3H3/q+1
InChIKeyGXQUZSXKTPEVRG-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.06
Rot. Bonds1

About 1-(1,1-dimethylpiperidin-1-ium-3-yl)ethanone

1-(1,1-dimethylpiperidin-1-ium-3-yl)ethanone (PubChem CID 134125690) has the molecular formula C9H18NO+ and a molecular weight of 156.25 g/mol. Its IUPAC name is 1-(1,1-dimethylpiperidin-1-ium-3-yl)ethanone.

Molecular Properties

Compound Name1-(1,1-dimethylpiperidin-1-ium-3-yl)ethanone
PubChem CID134125690
Molecular FormulaC9H18NO+
Molecular Weight156.25 g/mol
Exact Mass156.14
IUPAC Name1-(1,1-dimethylpiperidin-1-ium-3-yl)ethanone
SMILESCC(=O)C1CCC[N+](C)(C)C1
InChIInChI=1S/C9H18NO/c1-8(11)9-5-4-6-10(2,3)7-9/h9H,4-7H2,1-3H3/q+1
InChIKeyGXQUZSXKTPEVRG-UHFFFAOYSA-N
XLogP1.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-(1,1-dimethylpiperidin-1-ium-3-carbonyl)oxyethyl-trimethylazanium
CID 3065836
1-cyclopentylethanone;propane
CID 145026358
acetylene;1-cyclohexylethanone;prop-1-yne
CID 143179551
CID 88741399
CID 88741399
acetaldehyde;1-cyclohexylethanone;ethane
CID 145408304
1-(thian-4-yl)ethanone
CID 18715066
1-(3-iodocyclohexyl)ethanone
CID 12564078
1-[(1S,3S)-3-aminocyclohexyl]ethanone
CID 98010319
3-acetylcyclohexane-1-carbonyl iodide
CID 146549703
carbon monoxide;chromium;cobalt;1-cyclopentylethanone;iron;sulfanide
CID 23232725
1-cyclohexylethanone;dioxathiirane 3,3-dioxide
CID 71436930
2-(4-acetyl-1-methylpiperidin-1-ium-1-yl)acetamide
CID 166474213

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dimethylpiperidin-1-ium-3-yl)ethanone?
The IUPAC name of 1-(1,1-dimethylpiperidin-1-ium-3-yl)ethanone (CID 134125690) is 1-(1,1-dimethylpiperidin-1-ium-3-yl)ethanone.
What is the SMILES notation for 1-(1,1-dimethylpiperidin-1-ium-3-yl)ethanone?
The canonical SMILES for 1-(1,1-dimethylpiperidin-1-ium-3-yl)ethanone is CC(=O)C1CCC[N+](C)(C)C1.
What is the InChIKey of 1-(1,1-dimethylpiperidin-1-ium-3-yl)ethanone?
The InChIKey is GXQUZSXKTPEVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO/c1-8(11)9-5-4-6-10(2,3)7-9/h9H,4-7H2,1-3H3/q+1.
What are the key properties of 1-(1,1-dimethylpiperidin-1-ium-3-yl)ethanone?
1-(1,1-dimethylpiperidin-1-ium-3-yl)ethanone has a molecular weight of 156.25 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dimethylpiperidin-1-ium-3-yl)ethanone is sourced from PubChem (CID 134125690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).