2,2,3,3-tetramethyl-1-oxidopiperidin-1-ium

C9H19NO — CID 91234260

IUPAC2,2,3,3-tetramethyl-1-oxidopiperidin-1-ium
SMILESCC1(C)CCC[NH+]([O-])C1(C)C
InChIInChI=1S/C9H19NO/c1-8(2)6-5-7-10(11)9(8,3)4/h10H,5-7H2,1-4H3
InChIKeyVQBGSCNXHBPYEG-UHFFFAOYSA-N
MW157.26 g/mol
LogP0.97
Rot. Bonds

About 2,2,3,3-tetramethyl-1-oxidopiperidin-1-ium

2,2,3,3-tetramethyl-1-oxidopiperidin-1-ium (PubChem CID 91234260) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-1-oxidopiperidin-1-ium.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-1-oxidopiperidin-1-ium
PubChem CID91234260
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2,2,3,3-tetramethyl-1-oxidopiperidin-1-ium
SMILESCC1(C)CCC[NH+]([O-])C1(C)C
InChIInChI=1S/C9H19NO/c1-8(2)6-5-7-10(11)9(8,3)4/h10H,5-7H2,1-4H3
InChIKeyVQBGSCNXHBPYEG-UHFFFAOYSA-N
XLogP0.97
TPSA27.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 18624315
ethane;methane;1,1,2,2-tetramethylcyclohexane
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2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium;hydrobromide
CID 175836735
1-iodo-1,2,2-trimethylcyclopentane
CID 70443095
1,1,2,2,5,5-hexamethylcyclononane
CID 123180504
1-fluoro-1-methylcyclopropane
CID 18684623
2,2-dimethylcyclooctane-1,1-diol
CID 90109064
1-[4-(aminomethyl)oxan-4-yl]-2,2-dimethylcyclopentan-1-ol
CID 79863221
2,2,4,4-tetramethyl-1-oxidoazetidin-1-ium
CID 150177278
4,4-dimethyl-1-oxaspiro[2.5]octane
CID 11829539
(1,2,2-trimethylcyclohexyl)methanediamine
CID 142614010
1,1-dimethylcyclobutane;vanadium
CID 158712416

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-1-oxidopiperidin-1-ium?
The IUPAC name of 2,2,3,3-tetramethyl-1-oxidopiperidin-1-ium (CID 91234260) is 2,2,3,3-tetramethyl-1-oxidopiperidin-1-ium.
What is the SMILES notation for 2,2,3,3-tetramethyl-1-oxidopiperidin-1-ium?
The canonical SMILES for 2,2,3,3-tetramethyl-1-oxidopiperidin-1-ium is CC1(C)CCC[NH+]([O-])C1(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-1-oxidopiperidin-1-ium?
The InChIKey is VQBGSCNXHBPYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)6-5-7-10(11)9(8,3)4/h10H,5-7H2,1-4H3.
What are the key properties of 2,2,3,3-tetramethyl-1-oxidopiperidin-1-ium?
2,2,3,3-tetramethyl-1-oxidopiperidin-1-ium has a molecular weight of 157.26 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-1-oxidopiperidin-1-ium is sourced from PubChem (CID 91234260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).