2,2,6,6-tetramethyl-1-oxido-4-propan-2-yloxypiperidin-1-ium

C12H25NO2 — CID 141150713

IUPAC2,2,6,6-tetramethyl-1-oxido-4-propan-2-yloxypiperidin-1-ium
SMILESCC(C)OC1CC(C)(C)[NH+]([O-])C(C)(C)C1
InChIInChI=1S/C12H25NO2/c1-9(2)15-10-7-11(3,4)13(14)12(5,6)8-10/h9-10,13H,7-8H2,1-6H3
InChIKeySJLFDTXWFBBURB-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.51
Rot. Bonds2

About 2,2,6,6-tetramethyl-1-oxido-4-propan-2-yloxypiperidin-1-ium

2,2,6,6-tetramethyl-1-oxido-4-propan-2-yloxypiperidin-1-ium (PubChem CID 141150713) 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-propan-2-yloxypiperidin-1-ium.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-oxido-4-propan-2-yloxypiperidin-1-ium
PubChem CID141150713
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2,2,6,6-tetramethyl-1-oxido-4-propan-2-yloxypiperidin-1-ium
SMILESCC(C)OC1CC(C)(C)[NH+]([O-])C(C)(C)C1
InChIInChI=1S/C12H25NO2/c1-9(2)15-10-7-11(3,4)13(14)12(5,6)8-10/h9-10,13H,7-8H2,1-6H3
InChIKeySJLFDTXWFBBURB-UHFFFAOYSA-N
XLogP1.51
TPSA36.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-oxido-4-propan-2-yloxypiperidin-1-ium?
The IUPAC name of 2,2,6,6-tetramethyl-1-oxido-4-propan-2-yloxypiperidin-1-ium (CID 141150713) is 2,2,6,6-tetramethyl-1-oxido-4-propan-2-yloxypiperidin-1-ium.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-oxido-4-propan-2-yloxypiperidin-1-ium?
The canonical SMILES for 2,2,6,6-tetramethyl-1-oxido-4-propan-2-yloxypiperidin-1-ium is CC(C)OC1CC(C)(C)[NH+]([O-])C(C)(C)C1.
What is the InChIKey of 2,2,6,6-tetramethyl-1-oxido-4-propan-2-yloxypiperidin-1-ium?
The InChIKey is SJLFDTXWFBBURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(2)15-10-7-11(3,4)13(14)12(5,6)8-10/h9-10,13H,7-8H2,1-6H3.
What are the key properties of 2,2,6,6-tetramethyl-1-oxido-4-propan-2-yloxypiperidin-1-ium?
2,2,6,6-tetramethyl-1-oxido-4-propan-2-yloxypiperidin-1-ium has a molecular weight of 215.34 g/mol, XLogP of 1.51, 2 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-propan-2-yloxypiperidin-1-ium is sourced from PubChem (CID 141150713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).