3-ethyl-1-oxidopiperidin-1-ium

C7H15NO — CID 163455826

IUPAC3-ethyl-1-oxidopiperidin-1-ium
SMILESCCC1CCC[NH+]([O-])C1
InChIInChI=1S/C7H15NO/c1-2-7-4-3-5-8(9)6-7/h7-8H,2-6H2,1H3
InChIKeyBKJUSPWCBHWGDF-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.19
Rot. Bonds1

About 3-ethyl-1-oxidopiperidin-1-ium

3-ethyl-1-oxidopiperidin-1-ium (PubChem CID 163455826) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-ethyl-1-oxidopiperidin-1-ium.

Molecular Properties

Compound Name3-ethyl-1-oxidopiperidin-1-ium
PubChem CID163455826
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-ethyl-1-oxidopiperidin-1-ium
SMILESCCC1CCC[NH+]([O-])C1
InChIInChI=1S/C7H15NO/c1-2-7-4-3-5-8(9)6-7/h7-8H,2-6H2,1H3
InChIKeyBKJUSPWCBHWGDF-UHFFFAOYSA-N
XLogP0.19
TPSA27.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-1-oxidopiperidin-1-ium 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

1-butyl-3-ethylpiperidin-1-ium fluoride
CID 171571636
1-butyl-3-ethylpiperidin-1-ium acetate
CID 171571404
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
ethylcyclopentane;methane
CID 143390575
tris(ethylcyclopentane);gadolinium
CID 160752471
ethane;bis(ethylcyclopentane)
CID 158911237
chromium;bis(ethylcyclopentane)
CID 91996240
3-ethyl-1-pentylpiperidin-1-ium;methanesulfonate
CID 171570160
3-ethyl-1-hexylpiperidin-1-ium cyanide
CID 171569610
1-dodecyl-3-ethylpiperidin-1-ium cyanide
CID 171569818
3-ethyl-1-propylpiperidin-1-ium;trifluoromethanesulfonate
CID 171616157
magnesium;carbanide;bis(ethylcyclopentane)
CID 121233150

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-oxidopiperidin-1-ium?
The IUPAC name of 3-ethyl-1-oxidopiperidin-1-ium (CID 163455826) is 3-ethyl-1-oxidopiperidin-1-ium.
What is the SMILES notation for 3-ethyl-1-oxidopiperidin-1-ium?
The canonical SMILES for 3-ethyl-1-oxidopiperidin-1-ium is CCC1CCC[NH+]([O-])C1.
What is the InChIKey of 3-ethyl-1-oxidopiperidin-1-ium?
The InChIKey is BKJUSPWCBHWGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-2-7-4-3-5-8(9)6-7/h7-8H,2-6H2,1H3.
What are the key properties of 3-ethyl-1-oxidopiperidin-1-ium?
3-ethyl-1-oxidopiperidin-1-ium has a molecular weight of 129.20 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-oxidopiperidin-1-ium is sourced from PubChem (CID 163455826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).