4-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylaniline

C15H25N3 — CID 64936346

IUPAC4-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylaniline
SMILESCCC1CNC(C)CN1c1ccc(N(C)C)cc1
InChIInChI=1S/C15H25N3/c1-5-13-10-16-12(2)11-18(13)15-8-6-14(7-9-15)17(3)4/h6-9,12-13,16H,5,10-11H2,1-4H3
InChIKeyLMWINAAQDPYLAS-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.33
Rot. Bonds3

About 4-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylaniline

4-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylaniline (PubChem CID 64936346) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylaniline
PubChem CID64936346
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylaniline
SMILESCCC1CNC(C)CN1c1ccc(N(C)C)cc1
InChIInChI=1S/C15H25N3/c1-5-13-10-16-12(2)11-18(13)15-8-6-14(7-9-15)17(3)4/h6-9,12-13,16H,5,10-11H2,1-4H3
InChIKeyLMWINAAQDPYLAS-UHFFFAOYSA-N
XLogP2.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylaniline 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

4-(2,5-diethylpiperazin-1-yl)-N,N-dimethylaniline
CID 64934847
4-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylaniline
CID 64933884
2-ethyl-1-(4-fluoro-3-methylphenyl)-5-methylpiperazine
CID 64939128
2-ethyl-5-methyl-1-(3,4,5-trifluorophenyl)piperazine
CID 64938560
2-ethyl-1-(3-methoxyphenyl)-5-methylpiperazine
CID 64954877
2-ethyl-1-(3-fluoro-5-methoxyphenyl)-5-methylpiperazine
CID 114263238
2-ethyl-1-(1-ethylpyrazol-4-yl)-5-methylpiperazine
CID 64939217
3-(2-ethyl-5-propylpiperazin-1-yl)-N,N-dimethylaniline
CID 115379254
5-(2,5-diethylpiperazin-1-yl)-N,N,2-trimethylaniline
CID 115379341
5-tert-butyl-2-ethyl-1-phenylpiperazine
CID 64932615
2-ethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine
CID 64954694
1-(4-bromo-2,3-dichlorophenyl)-2-ethyl-5-methylpiperazine
CID 114002209

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylaniline (CID 64936346) is 4-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylaniline is CCC1CNC(C)CN1c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylaniline?
The InChIKey is LMWINAAQDPYLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-5-13-10-16-12(2)11-18(13)15-8-6-14(7-9-15)17(3)4/h6-9,12-13,16H,5,10-11H2,1-4H3.
What are the key properties of 4-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylaniline?
4-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylaniline has a molecular weight of 247.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylaniline is sourced from PubChem (CID 64936346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).