1-(4-ethyl-4-methylpiperazin-4-ium-1-yl)ethanone

C9H19N2O+ — CID 20802826

IUPAC1-(4-ethyl-4-methylpiperazin-4-ium-1-yl)ethanone
SMILESCC[N+]1(C)CCN(C(C)=O)CC1
InChIInChI=1S/C9H19N2O/c1-4-11(3)7-5-10(6-8-11)9(2)12/h4-8H2,1-3H3/q+1
InChIKeyOUZXVGZDVPIKPH-UHFFFAOYSA-N
MW171.26 g/mol
LogP0.31
Rot. Bonds1

About 1-(4-ethyl-4-methylpiperazin-4-ium-1-yl)ethanone

1-(4-ethyl-4-methylpiperazin-4-ium-1-yl)ethanone (PubChem CID 20802826) has the molecular formula C9H19N2O+ and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-(4-ethyl-4-methylpiperazin-4-ium-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethyl-4-methylpiperazin-4-ium-1-yl)ethanone
PubChem CID20802826
Molecular FormulaC9H19N2O+
Molecular Weight171.26 g/mol
Exact Mass171.15
IUPAC Name1-(4-ethyl-4-methylpiperazin-4-ium-1-yl)ethanone
SMILESCC[N+]1(C)CCN(C(C)=O)CC1
InChIInChI=1S/C9H19N2O/c1-4-11(3)7-5-10(6-8-11)9(2)12/h4-8H2,1-3H3/q+1
InChIKeyOUZXVGZDVPIKPH-UHFFFAOYSA-N
XLogP0.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-ethyl-4-methylpiperazin-4-ium-1-yl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-ethyl-4-methylpiperazin-4-ium-1-yl)octan-1-one iodide
CID 24945734
propane;1-pyrrolidin-1-ylethanone
CID 143432619
1-(azetidin-1-yl)ethanone
CID 14061673
1-ethyl-1-methylpyrrolidin-1-ium;hydrofluoride
CID 130276515
1-(4,4-dimethylpiperidin-1-yl)ethanone;propane
CID 166079085
1-(5-ethyl-1,5-diazocan-1-yl)ethanone
CID 89081102
ethyl 4-methyl-4-nonylpiperazin-4-ium-1-carboxylate iodide
CID 3066335
N,N-diethyl-4-methyl-4-tetradecylpiperazin-4-ium-1-carboxamide
CID 3030329
ethyl 4-methyl-4-tetradecylpiperazin-4-ium-1-carboxylate bromide
CID 24842338
N-ethylethanamine;1-piperidin-1-ylethanone
CID 143658502
1-piperidin-1-ylethanone;propanal
CID 178173122
1-(4-methylpiperazin-1-yl)ethanone
CID 550758

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-4-methylpiperazin-4-ium-1-yl)ethanone?
The IUPAC name of 1-(4-ethyl-4-methylpiperazin-4-ium-1-yl)ethanone (CID 20802826) is 1-(4-ethyl-4-methylpiperazin-4-ium-1-yl)ethanone.
What is the SMILES notation for 1-(4-ethyl-4-methylpiperazin-4-ium-1-yl)ethanone?
The canonical SMILES for 1-(4-ethyl-4-methylpiperazin-4-ium-1-yl)ethanone is CC[N+]1(C)CCN(C(C)=O)CC1.
What is the InChIKey of 1-(4-ethyl-4-methylpiperazin-4-ium-1-yl)ethanone?
The InChIKey is OUZXVGZDVPIKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2O/c1-4-11(3)7-5-10(6-8-11)9(2)12/h4-8H2,1-3H3/q+1.
What are the key properties of 1-(4-ethyl-4-methylpiperazin-4-ium-1-yl)ethanone?
1-(4-ethyl-4-methylpiperazin-4-ium-1-yl)ethanone has a molecular weight of 171.26 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-4-methylpiperazin-4-ium-1-yl)ethanone is sourced from PubChem (CID 20802826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).