1,2,2,6,6-pentamethylpiperidin-1-ium

C10H22N+ — CID 6989217

IUPAC1,2,2,6,6-pentamethylpiperidin-1-ium
SMILESC[NH+]1C(C)(C)CCCC1(C)C
InChIInChI=1S/C10H21N/c1-9(2)7-6-8-10(3,4)11(9)5/h6-8H2,1-5H3/p+1
InChIKeyXULIXFLCVXWHRF-UHFFFAOYSA-O
MW156.29 g/mol
LogP1.24
Rot. Bonds

About 1,2,2,6,6-pentamethylpiperidin-1-ium

1,2,2,6,6-pentamethylpiperidin-1-ium (PubChem CID 6989217) has the molecular formula C10H22N+ and a molecular weight of 156.29 g/mol. Its IUPAC name is 1,2,2,6,6-pentamethylpiperidin-1-ium.

Molecular Properties

Compound Name1,2,2,6,6-pentamethylpiperidin-1-ium
PubChem CID6989217
Molecular FormulaC10H22N+
Molecular Weight156.29 g/mol
Exact Mass156.17
IUPAC Name1,2,2,6,6-pentamethylpiperidin-1-ium
SMILESC[NH+]1C(C)(C)CCCC1(C)C
InChIInChI=1S/C10H21N/c1-9(2)7-6-8-10(3,4)11(9)5/h6-8H2,1-5H3/p+1
InChIKeyXULIXFLCVXWHRF-UHFFFAOYSA-O
XLogP1.24
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,6,6-pentamethylpiperidin-1-ium?
The IUPAC name of 1,2,2,6,6-pentamethylpiperidin-1-ium (CID 6989217) is 1,2,2,6,6-pentamethylpiperidin-1-ium.
What is the SMILES notation for 1,2,2,6,6-pentamethylpiperidin-1-ium?
The canonical SMILES for 1,2,2,6,6-pentamethylpiperidin-1-ium is C[NH+]1C(C)(C)CCCC1(C)C.
What is the InChIKey of 1,2,2,6,6-pentamethylpiperidin-1-ium?
The InChIKey is XULIXFLCVXWHRF-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H21N/c1-9(2)7-6-8-10(3,4)11(9)5/h6-8H2,1-5H3/p+1.
What are the key properties of 1,2,2,6,6-pentamethylpiperidin-1-ium?
1,2,2,6,6-pentamethylpiperidin-1-ium has a molecular weight of 156.29 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6,6-pentamethylpiperidin-1-ium is sourced from PubChem (CID 6989217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).