(2S,6S)-1-ethyl-1,2,6-trimethylpiperidin-1-ium

C10H22N+ — CID 129388701

IUPAC(2S,6S)-1-ethyl-1,2,6-trimethylpiperidin-1-ium
SMILESCC[N+]1(C)[C@@H](C)CCC[C@@H]1C
InChIInChI=1S/C10H22N/c1-5-11(4)9(2)7-6-8-10(11)3/h9-10H,5-8H2,1-4H3/q+1/t9-,10-/m0/s1
InChIKeyQOURMEHOWGLDIZ-UWVGGRQHSA-N
MW156.29 g/mol
LogP2.41
Rot. Bonds1

About (2S,6S)-1-ethyl-1,2,6-trimethylpiperidin-1-ium

(2S,6S)-1-ethyl-1,2,6-trimethylpiperidin-1-ium (PubChem CID 129388701) has the molecular formula C10H22N+ and a molecular weight of 156.29 g/mol. Its IUPAC name is (2S,6S)-1-ethyl-1,2,6-trimethylpiperidin-1-ium.

Molecular Properties

Compound Name(2S,6S)-1-ethyl-1,2,6-trimethylpiperidin-1-ium
PubChem CID129388701
Molecular FormulaC10H22N+
Molecular Weight156.29 g/mol
Exact Mass156.17
IUPAC Name(2S,6S)-1-ethyl-1,2,6-trimethylpiperidin-1-ium
SMILESCC[N+]1(C)[C@@H](C)CCC[C@@H]1C
InChIInChI=1S/C10H22N/c1-5-11(4)9(2)7-6-8-10(11)3/h9-10H,5-8H2,1-4H3/q+1/t9-,10-/m0/s1
InChIKeyQOURMEHOWGLDIZ-UWVGGRQHSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1,2,6-trimethyl-1-[6-(1,2,6-trimethylpiperidin-1-ium-1-yl)hexyl]piperidin-1-ium diiodide
CID 155804918
1,1-diethyl-2,6-dimethylpiperidin-1-ium;methyl sulfate
CID 122621694
8-methyl-8-[4-(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)butyl]-8-azoniabicyclo[3.2.1]octane
CID 102038280
2-(1,2,5-trimethylpyrrolidin-1-ium-1-yl)ethanol
CID 21125352
3-(ethoxymethyl)-9-methyl-9-sulfanyl-9-azoniabicyclo[3.3.1]nonane
CID 90941106
(1S,5S)-8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol
CID 98575483
1,2-dimethyl-1-propylpiperidin-1-ium bromide
CID 66624879
3-(1,2,5-trimethylpyrrolidin-1-ium-1-yl)propan-1-ol
CID 53427984
(2R,6R)-2,6-dimethyl-1,1-bis(prop-2-enyl)piperidin-1-ium
CID 122482659
1-butyl-1,2-dimethylpiperidin-1-ium
CID 148751446
1-hexyl-1,2-dimethylpiperidin-1-ium
CID 160754103
1-ethyl-1,2,3,4,5,6-hexamethylpiperidin-1-ium;1-ethyl-1,2,3,4,5-pentamethylpiperidin-1-ium;1-ethyl-1,2,3,5,6-pentamethylpiperidin-1-ium;1-ethyl-1,2,3,6-tetramethylpiperidin-1-ium
CID 167542439

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-1-ethyl-1,2,6-trimethylpiperidin-1-ium?
The IUPAC name of (2S,6S)-1-ethyl-1,2,6-trimethylpiperidin-1-ium (CID 129388701) is (2S,6S)-1-ethyl-1,2,6-trimethylpiperidin-1-ium.
What is the SMILES notation for (2S,6S)-1-ethyl-1,2,6-trimethylpiperidin-1-ium?
The canonical SMILES for (2S,6S)-1-ethyl-1,2,6-trimethylpiperidin-1-ium is CC[N+]1(C)[C@@H](C)CCC[C@@H]1C.
What is the InChIKey of (2S,6S)-1-ethyl-1,2,6-trimethylpiperidin-1-ium?
The InChIKey is QOURMEHOWGLDIZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H22N/c1-5-11(4)9(2)7-6-8-10(11)3/h9-10H,5-8H2,1-4H3/q+1/t9-,10-/m0/s1.
What are the key properties of (2S,6S)-1-ethyl-1,2,6-trimethylpiperidin-1-ium?
(2S,6S)-1-ethyl-1,2,6-trimethylpiperidin-1-ium has a molecular weight of 156.29 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-1-ethyl-1,2,6-trimethylpiperidin-1-ium is sourced from PubChem (CID 129388701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).