5-ethyl-1-(4-methoxyphenyl)-2,5-dimethylpiperazine

C15H24N2O — CID 64930940

IUPAC5-ethyl-1-(4-methoxyphenyl)-2,5-dimethylpiperazine
SMILESCCC1(C)CN(c2ccc(OC)cc2)C(C)CN1
InChIInChI=1S/C15H24N2O/c1-5-15(3)11-17(12(2)10-16-15)13-6-8-14(18-4)9-7-13/h6-9,12,16H,5,10-11H2,1-4H3
InChIKeyLVGPISYFHKXUGM-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.66
Rot. Bonds3

About 5-ethyl-1-(4-methoxyphenyl)-2,5-dimethylpiperazine

5-ethyl-1-(4-methoxyphenyl)-2,5-dimethylpiperazine (PubChem CID 64930940) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-ethyl-1-(4-methoxyphenyl)-2,5-dimethylpiperazine.

Molecular Properties

Compound Name5-ethyl-1-(4-methoxyphenyl)-2,5-dimethylpiperazine
PubChem CID64930940
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name5-ethyl-1-(4-methoxyphenyl)-2,5-dimethylpiperazine
SMILESCCC1(C)CN(c2ccc(OC)cc2)C(C)CN1
InChIInChI=1S/C15H24N2O/c1-5-15(3)11-17(12(2)10-16-15)13-6-8-14(18-4)9-7-13/h6-9,12,16H,5,10-11H2,1-4H3
InChIKeyLVGPISYFHKXUGM-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 5-ethyl-1-(4-methoxyphenyl)-2,5-dimethylpiperazine 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

N,N-diethyl-4-(5-ethyl-2,5-dimethylpiperazin-1-yl)aniline
CID 64941181
1-(6-bromonaphthalen-2-yl)-5-ethyl-2,5-dimethylpiperazine
CID 81267340
9-(4-methoxyphenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64930155
1-(3-bromo-4-methylphenyl)-5-ethyl-2,5-dimethylpiperazine
CID 64940819
1-(4-ethoxyphenyl)-2,5,5-trimethylpiperazine
CID 64930956
5-ethyl-1-(2-ethylphenyl)-2,5-dimethylpiperazine
CID 64932411
5-ethyl-2,5-dimethyl-1-(2-methylphenyl)piperazine
CID 64930880
1-(4-ethoxyphenyl)-2,5-diethyl-5-methylpiperazine
CID 64930171
5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine
CID 64935551
1-(4-bromo-2,3-dichlorophenyl)-5-ethyl-2,5-dimethylpiperazine
CID 107794409
1-(2-bromo-4-fluorophenyl)-5-ethyl-2,5-dimethylpiperazine
CID 64934721
1-(2-chloro-4-fluorophenyl)-5-ethyl-2,5-dimethylpiperazine
CID 64936201

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-methoxyphenyl)-2,5-dimethylpiperazine?
The IUPAC name of 5-ethyl-1-(4-methoxyphenyl)-2,5-dimethylpiperazine (CID 64930940) is 5-ethyl-1-(4-methoxyphenyl)-2,5-dimethylpiperazine.
What is the SMILES notation for 5-ethyl-1-(4-methoxyphenyl)-2,5-dimethylpiperazine?
The canonical SMILES for 5-ethyl-1-(4-methoxyphenyl)-2,5-dimethylpiperazine is CCC1(C)CN(c2ccc(OC)cc2)C(C)CN1.
What is the InChIKey of 5-ethyl-1-(4-methoxyphenyl)-2,5-dimethylpiperazine?
The InChIKey is LVGPISYFHKXUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-15(3)11-17(12(2)10-16-15)13-6-8-14(18-4)9-7-13/h6-9,12,16H,5,10-11H2,1-4H3.
What are the key properties of 5-ethyl-1-(4-methoxyphenyl)-2,5-dimethylpiperazine?
5-ethyl-1-(4-methoxyphenyl)-2,5-dimethylpiperazine has a molecular weight of 248.37 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-methoxyphenyl)-2,5-dimethylpiperazine is sourced from PubChem (CID 64930940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).