1-(4-ethoxyphenyl)-2,5-dimethylpiperazine

C14H22N2O — CID 64951879

IUPAC1-(4-ethoxyphenyl)-2,5-dimethylpiperazine
SMILESCCOc1ccc(N2CC(C)NCC2C)cc1
InChIInChI=1S/C14H22N2O/c1-4-17-14-7-5-13(6-8-14)16-10-11(2)15-9-12(16)3/h5-8,11-12,15H,4,9-10H2,1-3H3
InChIKeyGKZNZIXVQPKOGK-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.27
Rot. Bonds3

About 1-(4-ethoxyphenyl)-2,5-dimethylpiperazine

1-(4-ethoxyphenyl)-2,5-dimethylpiperazine (PubChem CID 64951879) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2,5-dimethylpiperazine
PubChem CID64951879
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(4-ethoxyphenyl)-2,5-dimethylpiperazine
SMILESCCOc1ccc(N2CC(C)NCC2C)cc1
InChIInChI=1S/C14H22N2O/c1-4-17-14-7-5-13(6-8-14)16-10-11(2)15-9-12(16)3/h5-8,11-12,15H,4,9-10H2,1-3H3
InChIKeyGKZNZIXVQPKOGK-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-ethoxyphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2,5-dimethylpiperazine?
The IUPAC name of 1-(4-ethoxyphenyl)-2,5-dimethylpiperazine (CID 64951879) is 1-(4-ethoxyphenyl)-2,5-dimethylpiperazine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2,5-dimethylpiperazine?
The canonical SMILES for 1-(4-ethoxyphenyl)-2,5-dimethylpiperazine is CCOc1ccc(N2CC(C)NCC2C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2,5-dimethylpiperazine?
The InChIKey is GKZNZIXVQPKOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-17-14-7-5-13(6-8-14)16-10-11(2)15-9-12(16)3/h5-8,11-12,15H,4,9-10H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-2,5-dimethylpiperazine?
1-(4-ethoxyphenyl)-2,5-dimethylpiperazine has a molecular weight of 234.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2,5-dimethylpiperazine is sourced from PubChem (CID 64951879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).