1-butyl-2,2,6,6-tetramethylpiperidin-1-ium

C13H28N+ — CID 173215884

IUPAC1-butyl-2,2,6,6-tetramethylpiperidin-1-ium
SMILESCCCC[NH+]1C(C)(C)CCCC1(C)C
InChIInChI=1S/C13H27N/c1-6-7-11-14-12(2,3)9-8-10-13(14,4)5/h6-11H2,1-5H3/p+1
InChIKeyWRBGFIRROIPTIY-UHFFFAOYSA-O
MW198.37 g/mol
LogP2.41
Rot. Bonds3

About 1-butyl-2,2,6,6-tetramethylpiperidin-1-ium

1-butyl-2,2,6,6-tetramethylpiperidin-1-ium (PubChem CID 173215884) has the molecular formula C13H28N+ and a molecular weight of 198.37 g/mol. Its IUPAC name is 1-butyl-2,2,6,6-tetramethylpiperidin-1-ium.

Molecular Properties

Compound Name1-butyl-2,2,6,6-tetramethylpiperidin-1-ium
PubChem CID173215884
Molecular FormulaC13H28N+
Molecular Weight198.37 g/mol
Exact Mass198.22
IUPAC Name1-butyl-2,2,6,6-tetramethylpiperidin-1-ium
SMILESCCCC[NH+]1C(C)(C)CCCC1(C)C
InChIInChI=1S/C13H27N/c1-6-7-11-14-12(2,3)9-8-10-13(14,4)5/h6-11H2,1-5H3/p+1
InChIKeyWRBGFIRROIPTIY-UHFFFAOYSA-O
XLogP2.41
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

bis(2,3,4,5,6-pentafluorophenyl)-[3-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)propyl]boranuide
CID 139124705
1,1,2,2-tetra(undecyl)cyclopentane
CID 18757655
ethane;1-methyl-N-pentylcyclobutan-1-amine
CID 164868131
2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium;hydrobromide
CID 175836735
[(1S)-1-bis(2,3,4,5,6-pentafluorophenyl)boranyl-3-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)propyl]-bis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139124703
1,1-dibutoxycyclopentane
CID 18792031
2,2,6,6-tetrabutylpiperidine
CID 22415175
1-butylpyrrolidin-1-ium acetate
CID 118062280
1-methyl-1-pentylcyclopropane
CID 524644
cobalt;cyclooctane;pentane
CID 57373062
cyclobutane;ethane;hexane
CID 143857678
1,1-dimethylcyclobutane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane
CID 158949227

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,2,6,6-tetramethylpiperidin-1-ium?
The IUPAC name of 1-butyl-2,2,6,6-tetramethylpiperidin-1-ium (CID 173215884) is 1-butyl-2,2,6,6-tetramethylpiperidin-1-ium.
What is the SMILES notation for 1-butyl-2,2,6,6-tetramethylpiperidin-1-ium?
The canonical SMILES for 1-butyl-2,2,6,6-tetramethylpiperidin-1-ium is CCCC[NH+]1C(C)(C)CCCC1(C)C.
What is the InChIKey of 1-butyl-2,2,6,6-tetramethylpiperidin-1-ium?
The InChIKey is WRBGFIRROIPTIY-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H27N/c1-6-7-11-14-12(2,3)9-8-10-13(14,4)5/h6-11H2,1-5H3/p+1.
What are the key properties of 1-butyl-2,2,6,6-tetramethylpiperidin-1-ium?
1-butyl-2,2,6,6-tetramethylpiperidin-1-ium has a molecular weight of 198.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,2,6,6-tetramethylpiperidin-1-ium is sourced from PubChem (CID 173215884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).