2,2,6,6-tetramethyl-1-oxido-4-propoxypiperidin-1-ium

C12H25NO2 — CID 86605514

IUPAC2,2,6,6-tetramethyl-1-oxido-4-propoxypiperidin-1-ium
SMILESCCCOC1CC(C)(C)[NH+]([O-])C(C)(C)C1
InChIInChI=1S/C12H25NO2/c1-6-7-15-10-8-11(2,3)13(14)12(4,5)9-10/h10,13H,6-9H2,1-5H3
InChIKeyJLGYLZJYLZEPSC-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.52
Rot. Bonds3

About 2,2,6,6-tetramethyl-1-oxido-4-propoxypiperidin-1-ium

2,2,6,6-tetramethyl-1-oxido-4-propoxypiperidin-1-ium (PubChem CID 86605514) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-oxido-4-propoxypiperidin-1-ium.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-oxido-4-propoxypiperidin-1-ium
PubChem CID86605514
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2,2,6,6-tetramethyl-1-oxido-4-propoxypiperidin-1-ium
SMILESCCCOC1CC(C)(C)[NH+]([O-])C(C)(C)C1
InChIInChI=1S/C12H25NO2/c1-6-7-15-10-8-11(2,3)13(14)12(4,5)9-10/h10,13H,6-9H2,1-5H3
InChIKeyJLGYLZJYLZEPSC-UHFFFAOYSA-N
XLogP1.52
TPSA36.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,6,6-tetramethyl-1-oxido-4-propoxypiperidin-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

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-oxido-4-propoxypiperidin-1-ium?
The IUPAC name of 2,2,6,6-tetramethyl-1-oxido-4-propoxypiperidin-1-ium (CID 86605514) is 2,2,6,6-tetramethyl-1-oxido-4-propoxypiperidin-1-ium.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-oxido-4-propoxypiperidin-1-ium?
The canonical SMILES for 2,2,6,6-tetramethyl-1-oxido-4-propoxypiperidin-1-ium is CCCOC1CC(C)(C)[NH+]([O-])C(C)(C)C1.
What is the InChIKey of 2,2,6,6-tetramethyl-1-oxido-4-propoxypiperidin-1-ium?
The InChIKey is JLGYLZJYLZEPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-7-15-10-8-11(2,3)13(14)12(4,5)9-10/h10,13H,6-9H2,1-5H3.
What are the key properties of 2,2,6,6-tetramethyl-1-oxido-4-propoxypiperidin-1-ium?
2,2,6,6-tetramethyl-1-oxido-4-propoxypiperidin-1-ium has a molecular weight of 215.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-oxido-4-propoxypiperidin-1-ium is sourced from PubChem (CID 86605514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).