2,4-dimethyl-5-piperazin-1-ylaniline

C12H19N3 — CID 4738791

IUPAC2,4-dimethyl-5-piperazin-1-ylaniline
SMILESCc1cc(C)c(N2CCNCC2)cc1N
InChIInChI=1S/C12H19N3/c1-9-7-10(2)12(8-11(9)13)15-5-3-14-4-6-15/h7-8,14H,3-6,13H2,1-2H3
InChIKeyMZLNPNLPUNIXSZ-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.30
Rot. Bonds1

About 2,4-dimethyl-5-piperazin-1-ylaniline

2,4-dimethyl-5-piperazin-1-ylaniline (PubChem CID 4738791) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 2,4-dimethyl-5-piperazin-1-ylaniline.

Molecular Properties

Compound Name2,4-dimethyl-5-piperazin-1-ylaniline
PubChem CID4738791
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name2,4-dimethyl-5-piperazin-1-ylaniline
SMILESCc1cc(C)c(N2CCNCC2)cc1N
InChIInChI=1S/C12H19N3/c1-9-7-10(2)12(8-11(9)13)15-5-3-14-4-6-15/h7-8,14H,3-6,13H2,1-2H3
InChIKeyMZLNPNLPUNIXSZ-UHFFFAOYSA-N
XLogP1.30
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-5-piperazin-1-ylaniline 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 2,4-dimethyl-5-piperazin-1-ylaniline?
The IUPAC name of 2,4-dimethyl-5-piperazin-1-ylaniline (CID 4738791) is 2,4-dimethyl-5-piperazin-1-ylaniline.
What is the SMILES notation for 2,4-dimethyl-5-piperazin-1-ylaniline?
The canonical SMILES for 2,4-dimethyl-5-piperazin-1-ylaniline is Cc1cc(C)c(N2CCNCC2)cc1N.
What is the InChIKey of 2,4-dimethyl-5-piperazin-1-ylaniline?
The InChIKey is MZLNPNLPUNIXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-9-7-10(2)12(8-11(9)13)15-5-3-14-4-6-15/h7-8,14H,3-6,13H2,1-2H3.
What are the key properties of 2,4-dimethyl-5-piperazin-1-ylaniline?
2,4-dimethyl-5-piperazin-1-ylaniline has a molecular weight of 205.31 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-piperazin-1-ylaniline is sourced from PubChem (CID 4738791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).