1,1,2,2,3,3-hexamethylpiperidin-1-ium

C11H24N+ — CID 67229783

IUPAC1,1,2,2,3,3-hexamethylpiperidin-1-ium
SMILESCC1(C)CCC[N+](C)(C)C1(C)C
InChIInChI=1S/C11H24N/c1-10(2)8-7-9-12(5,6)11(10,3)4/h7-9H2,1-6H3/q+1
InChIKeyLKZJWHJRNCSTBH-UHFFFAOYSA-N
MW170.32 g/mol
LogP2.66
Rot. Bonds

About 1,1,2,2,3,3-hexamethylpiperidin-1-ium

1,1,2,2,3,3-hexamethylpiperidin-1-ium (PubChem CID 67229783) has the molecular formula C11H24N+ and a molecular weight of 170.32 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexamethylpiperidin-1-ium.

Molecular Properties

Compound Name1,1,2,2,3,3-hexamethylpiperidin-1-ium
PubChem CID67229783
Molecular FormulaC11H24N+
Molecular Weight170.32 g/mol
Exact Mass170.19
IUPAC Name1,1,2,2,3,3-hexamethylpiperidin-1-ium
SMILESCC1(C)CCC[N+](C)(C)C1(C)C
InChIInChI=1S/C11H24N/c1-10(2)8-7-9-12(5,6)11(10,3)4/h7-9H2,1-6H3/q+1
InChIKeyLKZJWHJRNCSTBH-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1,1,2,2,3,3-hexamethylpiperidin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexamethylpiperidin-1-ium?
The IUPAC name of 1,1,2,2,3,3-hexamethylpiperidin-1-ium (CID 67229783) is 1,1,2,2,3,3-hexamethylpiperidin-1-ium.
What is the SMILES notation for 1,1,2,2,3,3-hexamethylpiperidin-1-ium?
The canonical SMILES for 1,1,2,2,3,3-hexamethylpiperidin-1-ium is CC1(C)CCC[N+](C)(C)C1(C)C.
What is the InChIKey of 1,1,2,2,3,3-hexamethylpiperidin-1-ium?
The InChIKey is LKZJWHJRNCSTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N/c1-10(2)8-7-9-12(5,6)11(10,3)4/h7-9H2,1-6H3/q+1.
What are the key properties of 1,1,2,2,3,3-hexamethylpiperidin-1-ium?
1,1,2,2,3,3-hexamethylpiperidin-1-ium has a molecular weight of 170.32 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexamethylpiperidin-1-ium is sourced from PubChem (CID 67229783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).