1-ethyl-1,2,2-trimethylpiperidin-1-ium

C10H22N+ — CID 54011719

IUPAC1-ethyl-1,2,2-trimethylpiperidin-1-ium
SMILESCC[N+]1(C)CCCCC1(C)C
InChIInChI=1S/C10H22N/c1-5-11(4)9-7-6-8-10(11,2)3/h5-9H2,1-4H3/q+1
InChIKeyKSVDFJMZGTXEDK-UHFFFAOYSA-N
MW156.29 g/mol
LogP2.42
Rot. Bonds1

About 1-ethyl-1,2,2-trimethylpiperidin-1-ium

1-ethyl-1,2,2-trimethylpiperidin-1-ium (PubChem CID 54011719) has the molecular formula C10H22N+ and a molecular weight of 156.29 g/mol. Its IUPAC name is 1-ethyl-1,2,2-trimethylpiperidin-1-ium.

Molecular Properties

Compound Name1-ethyl-1,2,2-trimethylpiperidin-1-ium
PubChem CID54011719
Molecular FormulaC10H22N+
Molecular Weight156.29 g/mol
Exact Mass156.17
IUPAC Name1-ethyl-1,2,2-trimethylpiperidin-1-ium
SMILESCC[N+]1(C)CCCCC1(C)C
InChIInChI=1S/C10H22N/c1-5-11(4)9-7-6-8-10(11,2)3/h5-9H2,1-4H3/q+1
InChIKeyKSVDFJMZGTXEDK-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-ethyl-1,2,2-trimethylpiperidin-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-ethyl-1,2,2-trimethylpiperidin-1-ium?
The IUPAC name of 1-ethyl-1,2,2-trimethylpiperidin-1-ium (CID 54011719) is 1-ethyl-1,2,2-trimethylpiperidin-1-ium.
What is the SMILES notation for 1-ethyl-1,2,2-trimethylpiperidin-1-ium?
The canonical SMILES for 1-ethyl-1,2,2-trimethylpiperidin-1-ium is CC[N+]1(C)CCCCC1(C)C.
What is the InChIKey of 1-ethyl-1,2,2-trimethylpiperidin-1-ium?
The InChIKey is KSVDFJMZGTXEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N/c1-5-11(4)9-7-6-8-10(11,2)3/h5-9H2,1-4H3/q+1.
What are the key properties of 1-ethyl-1,2,2-trimethylpiperidin-1-ium?
1-ethyl-1,2,2-trimethylpiperidin-1-ium has a molecular weight of 156.29 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,2,2-trimethylpiperidin-1-ium is sourced from PubChem (CID 54011719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).