2-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)aniline

C14H23N3O — CID 63678193

IUPAC2-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)aniline
SMILESCOc1cc(N2CCN(C)C(C)(C)C2)ccc1N
InChIInChI=1S/C14H23N3O/c1-14(2)10-17(8-7-16(14)3)11-5-6-12(15)13(9-11)18-4/h5-6,9H,7-8,10,15H2,1-4H3
InChIKeyGFHRQEUCNSGJOS-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.81
Rot. Bonds2

About 2-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)aniline

2-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)aniline (PubChem CID 63678193) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)aniline.

Molecular Properties

Compound Name2-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)aniline
PubChem CID63678193
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)aniline
SMILESCOc1cc(N2CCN(C)C(C)(C)C2)ccc1N
InChIInChI=1S/C14H23N3O/c1-14(2)10-17(8-7-16(14)3)11-5-6-12(15)13(9-11)18-4/h5-6,9H,7-8,10,15H2,1-4H3
InChIKeyGFHRQEUCNSGJOS-UHFFFAOYSA-N
XLogP1.81
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)aniline 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-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)aniline?
The IUPAC name of 2-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)aniline (CID 63678193) is 2-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)aniline.
What is the SMILES notation for 2-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)aniline?
The canonical SMILES for 2-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)aniline is COc1cc(N2CCN(C)C(C)(C)C2)ccc1N.
What is the InChIKey of 2-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)aniline?
The InChIKey is GFHRQEUCNSGJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-14(2)10-17(8-7-16(14)3)11-5-6-12(15)13(9-11)18-4/h5-6,9H,7-8,10,15H2,1-4H3.
What are the key properties of 2-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)aniline?
2-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)aniline has a molecular weight of 249.36 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)aniline is sourced from PubChem (CID 63678193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).