4-(4-ethylpiperazin-1-yl)-2,5-dimethylbenzaldehyde

C15H22N2O — CID 165452447

IUPAC4-(4-ethylpiperazin-1-yl)-2,5-dimethylbenzaldehyde
SMILESCCN1CCN(c2cc(C)c(C=O)cc2C)CC1
InChIInChI=1S/C15H22N2O/c1-4-16-5-7-17(8-6-16)15-10-12(2)14(11-18)9-13(15)3/h9-11H,4-8H2,1-3H3
InChIKeyLJBLPJALVZJIQD-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.26
Rot. Bonds3

About 4-(4-ethylpiperazin-1-yl)-2,5-dimethylbenzaldehyde

4-(4-ethylpiperazin-1-yl)-2,5-dimethylbenzaldehyde (PubChem CID 165452447) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-2,5-dimethylbenzaldehyde.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-2,5-dimethylbenzaldehyde
PubChem CID165452447
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-(4-ethylpiperazin-1-yl)-2,5-dimethylbenzaldehyde
SMILESCCN1CCN(c2cc(C)c(C=O)cc2C)CC1
InChIInChI=1S/C15H22N2O/c1-4-16-5-7-17(8-6-16)15-10-12(2)14(11-18)9-13(15)3/h9-11H,4-8H2,1-3H3
InChIKeyLJBLPJALVZJIQD-UHFFFAOYSA-N
XLogP2.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-ethylpiperazin-1-yl)-2,5-dimethylbenzaldehyde 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-(4-formyl-2,5-dimethylphenyl)piperazine-1-carboxamide
CID 4742190
5-fluoro-2-methyl-4-pyrrolidin-1-ylbenzaldehyde
CID 974356
2-methyl-4-(4-propylpiperazin-1-yl)benzaldehyde
CID 55038619
2,5-dimethyl-4-[4-(3-phenoxypropanoyl)piperazin-1-yl]benzaldehyde
CID 4742195
4-(4-ethylpiperazin-1-yl)-3-methylbenzonitrile
CID 54934181
1-[4-(4-ethylpiperazin-1-yl)-5-fluoro-2-methylphenyl]propan-1-one
CID 975939
1-ethyl-4-(2-fluoro-5-methyl-4-nitrophenyl)piperazine
CID 2947734
1-(2-chloroethyl)-4-(2,4,5-trimethylphenyl)piperazine
CID 4741826
N-[2-amino-5-(4-ethylpiperazin-1-yl)-4-methylphenyl]benzamide
CID 91683990
4-(4-ethylpiperazin-1-yl)-3-nitrobenzaldehyde
CID 39118723
N-[[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63059455
4-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112870818

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-2,5-dimethylbenzaldehyde?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-2,5-dimethylbenzaldehyde (CID 165452447) is 4-(4-ethylpiperazin-1-yl)-2,5-dimethylbenzaldehyde.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-2,5-dimethylbenzaldehyde?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-2,5-dimethylbenzaldehyde is CCN1CCN(c2cc(C)c(C=O)cc2C)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-2,5-dimethylbenzaldehyde?
The InChIKey is LJBLPJALVZJIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-16-5-7-17(8-6-16)15-10-12(2)14(11-18)9-13(15)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-2,5-dimethylbenzaldehyde?
4-(4-ethylpiperazin-1-yl)-2,5-dimethylbenzaldehyde has a molecular weight of 246.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-2,5-dimethylbenzaldehyde is sourced from PubChem (CID 165452447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).