1,1,2,2,6,6-hexamethylpiperidin-1-ium

C11H24N+ — CID 15657086

IUPAC1,1,2,2,6,6-hexamethylpiperidin-1-ium
SMILESCC1(C)CCCC(C)(C)[N+]1(C)C
InChIInChI=1S/C11H24N/c1-10(2)8-7-9-11(3,4)12(10,5)6/h7-9H2,1-6H3/q+1
InChIKeyNKIOEUCYXGNBML-UHFFFAOYSA-N
MW170.32 g/mol
LogP2.80
Rot. Bonds

About 1,1,2,2,6,6-hexamethylpiperidin-1-ium

1,1,2,2,6,6-hexamethylpiperidin-1-ium (PubChem CID 15657086) has the molecular formula C11H24N+ and a molecular weight of 170.32 g/mol. Its IUPAC name is 1,1,2,2,6,6-hexamethylpiperidin-1-ium.

Molecular Properties

Compound Name1,1,2,2,6,6-hexamethylpiperidin-1-ium
PubChem CID15657086
Molecular FormulaC11H24N+
Molecular Weight170.32 g/mol
Exact Mass170.19
IUPAC Name1,1,2,2,6,6-hexamethylpiperidin-1-ium
SMILESCC1(C)CCCC(C)(C)[N+]1(C)C
InChIInChI=1S/C11H24N/c1-10(2)8-7-9-11(3,4)12(10,5)6/h7-9H2,1-6H3/q+1
InChIKeyNKIOEUCYXGNBML-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 52.80
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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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,6,6-hexamethylpiperidin-1-ium?
The IUPAC name of 1,1,2,2,6,6-hexamethylpiperidin-1-ium (CID 15657086) is 1,1,2,2,6,6-hexamethylpiperidin-1-ium.
What is the SMILES notation for 1,1,2,2,6,6-hexamethylpiperidin-1-ium?
The canonical SMILES for 1,1,2,2,6,6-hexamethylpiperidin-1-ium is CC1(C)CCCC(C)(C)[N+]1(C)C.
What is the InChIKey of 1,1,2,2,6,6-hexamethylpiperidin-1-ium?
The InChIKey is NKIOEUCYXGNBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N/c1-10(2)8-7-9-11(3,4)12(10,5)6/h7-9H2,1-6H3/q+1.
What are the key properties of 1,1,2,2,6,6-hexamethylpiperidin-1-ium?
1,1,2,2,6,6-hexamethylpiperidin-1-ium has a molecular weight of 170.32 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,6,6-hexamethylpiperidin-1-ium is sourced from PubChem (CID 15657086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).