1-butyl-1,2-dimethylpiperidin-1-ium

C11H24N+ — CID 148751446

IUPAC1-butyl-1,2-dimethylpiperidin-1-ium
SMILESCCCC[N+]1(C)CCCCC1C
InChIInChI=1S/C11H24N/c1-4-5-9-12(3)10-7-6-8-11(12)2/h11H,4-10H2,1-3H3/q+1
InChIKeyOETREFUQDSXLJS-UHFFFAOYSA-N
MW170.32 g/mol
LogP2.81
Rot. Bonds3

About 1-butyl-1,2-dimethylpiperidin-1-ium

1-butyl-1,2-dimethylpiperidin-1-ium (PubChem CID 148751446) has the molecular formula C11H24N+ and a molecular weight of 170.32 g/mol. Its IUPAC name is 1-butyl-1,2-dimethylpiperidin-1-ium.

Molecular Properties

Compound Name1-butyl-1,2-dimethylpiperidin-1-ium
PubChem CID148751446
Molecular FormulaC11H24N+
Molecular Weight170.32 g/mol
Exact Mass170.19
IUPAC Name1-butyl-1,2-dimethylpiperidin-1-ium
SMILESCCCC[N+]1(C)CCCCC1C
InChIInChI=1S/C11H24N/c1-4-5-9-12(3)10-7-6-8-11(12)2/h11H,4-10H2,1-3H3/q+1
InChIKeyOETREFUQDSXLJS-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 52.81
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-hexyl-1,2-dimethylpiperidin-1-ium
CID 160754103
1-butyl-1,2-dimethylpyrrolidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium
CID 161031580
1,2-dimethyl-1-propylpiperidin-1-ium bromide
CID 66624879
1-butyl-1,2-dimethylaziridin-1-ium
CID 123689120
1,2-dimethyl-1-propylpiperidin-1-ium;methylsulfonyl(trifluoromethylsulfonyl)azanide
CID 157458632
1-butyl-2-methyl-1-oxidopyrrolidin-1-ium
CID 166732413
(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-methylpyrrolidin-1-ium iodide
CID 11076461
1,1-dibutyl-2-ethylpiperidin-1-ium
CID 22415969
1-butyl-1-cyclohexylpyrrolidin-1-ium iodide
CID 22995118
2-butyl-1-methyl-1-propylpyrrolidin-1-ium
CID 178182566

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1,2-dimethylpiperidin-1-ium?
The IUPAC name of 1-butyl-1,2-dimethylpiperidin-1-ium (CID 148751446) is 1-butyl-1,2-dimethylpiperidin-1-ium.
What is the SMILES notation for 1-butyl-1,2-dimethylpiperidin-1-ium?
The canonical SMILES for 1-butyl-1,2-dimethylpiperidin-1-ium is CCCC[N+]1(C)CCCCC1C.
What is the InChIKey of 1-butyl-1,2-dimethylpiperidin-1-ium?
The InChIKey is OETREFUQDSXLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N/c1-4-5-9-12(3)10-7-6-8-11(12)2/h11H,4-10H2,1-3H3/q+1.
What are the key properties of 1-butyl-1,2-dimethylpiperidin-1-ium?
1-butyl-1,2-dimethylpiperidin-1-ium has a molecular weight of 170.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1,2-dimethylpiperidin-1-ium is sourced from PubChem (CID 148751446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).