2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium

C9H19NO — CID 10125083

IUPAC2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium
SMILESCC1(C)CCCC(C)(C)[NH+]1[O-]
InChIInChI=1S/C9H19NO/c1-8(2)6-5-7-9(3,4)10(8)11/h10H,5-7H2,1-4H3
InChIKeyRVWUHFFPEOKYLB-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.11
Rot. Bonds

About 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium

2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium (PubChem CID 10125083) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium
PubChem CID10125083
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium
SMILESCC1(C)CCCC(C)(C)[NH+]1[O-]
InChIInChI=1S/C9H19NO/c1-8(2)6-5-7-9(3,4)10(8)11/h10H,5-7H2,1-4H3
InChIKeyRVWUHFFPEOKYLB-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Tempo
CID 2724126
2,2,6,6-Tetramethylpiperidine
CID 13035
2,2,6,6-Tetramethylpiperidin-1-ol
CID 549976
Piperidine, 2,2,6,6-tetramethyl-, hydrobromide
CID 120464
Piperidine, 2,2,6,6-tetramethyl-, hydrochloride (1:1)
CID 120465
2,2,6,6-Tetramethylpiperidine--hydrogen iodide (1/1)
CID 120466
Piperidine, 2,2,4,6,6-pentamethyl-
CID 3048078
piperidine, 2,2,6,6-tetramethyl-, lithium salt
CID 57419888
4-amino-2,2,6,6-tetramethylpiperidine N-oxide
CID 11629669
2,2,6,6-Tetramethylpiperidin-1-ium
CID 1550918
1-Methoxy-2,2,6,6-tetramethylpiperidine
CID 5074768
2,2,6,6-Tetramethyl-1-oxidopiperidine
CID 10125084

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium?
The IUPAC name of 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium (CID 10125083) is 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium?
The canonical SMILES for 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium is CC1(C)CCCC(C)(C)[NH+]1[O-].
What is the InChIKey of 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium?
The InChIKey is RVWUHFFPEOKYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)6-5-7-9(3,4)10(8)11/h10H,5-7H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium?
2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium has a molecular weight of 157.26 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium is sourced from PubChem (CID 10125083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).