1,1-dibutyl-2-ethylpiperidin-1-ium

C15H32N+ — CID 22415969

IUPAC1,1-dibutyl-2-ethylpiperidin-1-ium
SMILESCCCC[N+]1(CCCC)CCCCC1CC
InChIInChI=1S/C15H32N/c1-4-7-12-16(13-8-5-2)14-10-9-11-15(16)6-3/h15H,4-14H2,1-3H3/q+1
InChIKeyILMIXUUVNHLMFV-UHFFFAOYSA-N
MW226.43 g/mol
LogP4.37
Rot. Bonds7

About 1,1-dibutyl-2-ethylpiperidin-1-ium

1,1-dibutyl-2-ethylpiperidin-1-ium (PubChem CID 22415969) has the molecular formula C15H32N+ and a molecular weight of 226.43 g/mol. Its IUPAC name is 1,1-dibutyl-2-ethylpiperidin-1-ium.

Molecular Properties

Compound Name1,1-dibutyl-2-ethylpiperidin-1-ium
PubChem CID22415969
Molecular FormulaC15H32N+
Molecular Weight226.43 g/mol
Exact Mass226.25
IUPAC Name1,1-dibutyl-2-ethylpiperidin-1-ium
SMILESCCCC[N+]1(CCCC)CCCCC1CC
InChIInChI=1S/C15H32N/c1-4-7-12-16(13-8-5-2)14-10-9-11-15(16)6-3/h15H,4-14H2,1-3H3/q+1
InChIKeyILMIXUUVNHLMFV-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.43
LogP ≤ 54.37
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

(4aR,8aR)-1,1,4,4-tetrabutyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline-1,4-diium dichloride
CID 131883004
1-butyl-1-cyclopentylpyrrolidin-1-ium hydroxide
CID 22995148
1-butyl-1,2-dimethylpiperidin-1-ium
CID 148751446
1-butyl-1-cyclohexylpyrrolidin-1-ium iodide
CID 22995118
1-butyl-1-methylpyrrolidin-1-ium iodide
CID 11076461
CID 123604603
CID 123604603
1-butyl-4-cyclohexyl-1-hydroxypiperidin-1-ium;hydrochloride
CID 21119340
2-butyl-1-methyl-1-propylpyrrolidin-1-ium
CID 178182566
1-butyl-1-ethylpyrrolidin-1-ium tetrafluoroborate
CID 90238613
1-butyl-1-heptadecylpyrrolidin-1-ium
CID 69388710
1-butyl-1-octylpyrrolidin-1-ium
CID 66835414
1-hexyl-1,2-dimethylpiperidin-1-ium
CID 160754103

Frequently Asked Questions

What is the IUPAC name of 1,1-dibutyl-2-ethylpiperidin-1-ium?
The IUPAC name of 1,1-dibutyl-2-ethylpiperidin-1-ium (CID 22415969) is 1,1-dibutyl-2-ethylpiperidin-1-ium.
What is the SMILES notation for 1,1-dibutyl-2-ethylpiperidin-1-ium?
The canonical SMILES for 1,1-dibutyl-2-ethylpiperidin-1-ium is CCCC[N+]1(CCCC)CCCCC1CC.
What is the InChIKey of 1,1-dibutyl-2-ethylpiperidin-1-ium?
The InChIKey is ILMIXUUVNHLMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N/c1-4-7-12-16(13-8-5-2)14-10-9-11-15(16)6-3/h15H,4-14H2,1-3H3/q+1.
What are the key properties of 1,1-dibutyl-2-ethylpiperidin-1-ium?
1,1-dibutyl-2-ethylpiperidin-1-ium has a molecular weight of 226.43 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutyl-2-ethylpiperidin-1-ium is sourced from PubChem (CID 22415969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).