1-hexyl-1,2-dimethylpiperidin-1-ium

C13H28N+ — CID 160754103

IUPAC1-hexyl-1,2-dimethylpiperidin-1-ium
SMILESCCCCCC[N+]1(C)CCCCC1C
InChIInChI=1S/C13H28N/c1-4-5-6-8-11-14(3)12-9-7-10-13(14)2/h13H,4-12H2,1-3H3/q+1
InChIKeyRXEXKNIOBADZFG-UHFFFAOYSA-N
MW198.37 g/mol
LogP3.59
Rot. Bonds5

About 1-hexyl-1,2-dimethylpiperidin-1-ium

1-hexyl-1,2-dimethylpiperidin-1-ium (PubChem CID 160754103) has the molecular formula C13H28N+ and a molecular weight of 198.37 g/mol. Its IUPAC name is 1-hexyl-1,2-dimethylpiperidin-1-ium.

Molecular Properties

Compound Name1-hexyl-1,2-dimethylpiperidin-1-ium
PubChem CID160754103
Molecular FormulaC13H28N+
Molecular Weight198.37 g/mol
Exact Mass198.22
IUPAC Name1-hexyl-1,2-dimethylpiperidin-1-ium
SMILESCCCCCC[N+]1(C)CCCCC1C
InChIInChI=1S/C13H28N/c1-4-5-6-8-11-14(3)12-9-7-10-13(14)2/h13H,4-12H2,1-3H3/q+1
InChIKeyRXEXKNIOBADZFG-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-1,2-dimethylpiperidin-1-ium
CID 148751446
1,2-dimethyl-1-propylpiperidin-1-ium bromide
CID 66624879
1-butyl-1,2-dimethylpyrrolidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium
CID 161031580
1-methyl-1-nonylpyrrolidin-1-ium
CID 66835403
1,2-dimethyl-1-propylpiperidin-1-ium;methylsulfonyl(trifluoromethylsulfonyl)azanide
CID 157458632
1-butyl-1,2-dimethylaziridin-1-ium
CID 123689120
1-heptadecyl-1-octadecylpyrrolidin-1-ium
CID 69389776
1-heptyl-1-undecylpyrrolidin-1-ium
CID 69393872
1-octadecyl-1-[4-(1-octadecylpyrrolidin-1-ium-1-yl)butyl]pyrrolidin-1-ium
CID 122216104
1-hexadecyl-1-pentadecylpyrrolidin-1-ium
CID 69388333
1-nonadecyl-1-octadecylpyrrolidin-1-ium
CID 69388372
1-dodecyl-1-pentylpyrrolidin-1-ium
CID 69392906

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-1,2-dimethylpiperidin-1-ium?
The IUPAC name of 1-hexyl-1,2-dimethylpiperidin-1-ium (CID 160754103) is 1-hexyl-1,2-dimethylpiperidin-1-ium.
What is the SMILES notation for 1-hexyl-1,2-dimethylpiperidin-1-ium?
The canonical SMILES for 1-hexyl-1,2-dimethylpiperidin-1-ium is CCCCCC[N+]1(C)CCCCC1C.
What is the InChIKey of 1-hexyl-1,2-dimethylpiperidin-1-ium?
The InChIKey is RXEXKNIOBADZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N/c1-4-5-6-8-11-14(3)12-9-7-10-13(14)2/h13H,4-12H2,1-3H3/q+1.
What are the key properties of 1-hexyl-1,2-dimethylpiperidin-1-ium?
1-hexyl-1,2-dimethylpiperidin-1-ium has a molecular weight of 198.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-1,2-dimethylpiperidin-1-ium is sourced from PubChem (CID 160754103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).