4-(4-ethylpiperazin-1-yl)-2-methylaniline

C13H21N3 — CID 2125324

IUPAC4-(4-ethylpiperazin-1-yl)-2-methylaniline
SMILESCCN1CCN(c2ccc(N)c(C)c2)CC1
InChIInChI=1S/C13H21N3/c1-3-15-6-8-16(9-7-15)12-4-5-13(14)11(2)10-12/h4-5,10H,3,6-9,14H2,1-2H3
InChIKeySEEYACQTZCXLSD-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.72
Rot. Bonds2

About 4-(4-ethylpiperazin-1-yl)-2-methylaniline

4-(4-ethylpiperazin-1-yl)-2-methylaniline (PubChem CID 2125324) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-2-methylaniline.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-2-methylaniline
PubChem CID2125324
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-(4-ethylpiperazin-1-yl)-2-methylaniline
SMILESCCN1CCN(c2ccc(N)c(C)c2)CC1
InChIInChI=1S/C13H21N3/c1-3-15-6-8-16(9-7-15)12-4-5-13(14)11(2)10-12/h4-5,10H,3,6-9,14H2,1-2H3
InChIKeySEEYACQTZCXLSD-UHFFFAOYSA-N
XLogP1.72
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-ethylpiperazin-1-yl)-2-methylaniline 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 4-(4-ethylpiperazin-1-yl)-2-methylaniline?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-2-methylaniline (CID 2125324) is 4-(4-ethylpiperazin-1-yl)-2-methylaniline.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-2-methylaniline?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-2-methylaniline is CCN1CCN(c2ccc(N)c(C)c2)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-2-methylaniline?
The InChIKey is SEEYACQTZCXLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-15-6-8-16(9-7-15)12-4-5-13(14)11(2)10-12/h4-5,10H,3,6-9,14H2,1-2H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-2-methylaniline?
4-(4-ethylpiperazin-1-yl)-2-methylaniline has a molecular weight of 219.33 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-2-methylaniline is sourced from PubChem (CID 2125324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).