4-(4-ethyl-3-methylpiperazin-1-yl)-2-(trifluoromethyl)aniline

C14H20F3N3 — CID 63608539

IUPAC4-(4-ethyl-3-methylpiperazin-1-yl)-2-(trifluoromethyl)aniline
SMILESCCN1CCN(c2ccc(N)c(C(F)(F)F)c2)CC1C
InChIInChI=1S/C14H20F3N3/c1-3-19-6-7-20(9-10(19)2)11-4-5-13(18)12(8-11)14(15,16)17/h4-5,8,10H,3,6-7,9,18H2,1-2H3
InChIKeyHQNDSGIMBIUYQP-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.82
Rot. Bonds2

About 4-(4-ethyl-3-methylpiperazin-1-yl)-2-(trifluoromethyl)aniline

4-(4-ethyl-3-methylpiperazin-1-yl)-2-(trifluoromethyl)aniline (PubChem CID 63608539) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 4-(4-ethyl-3-methylpiperazin-1-yl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(4-ethyl-3-methylpiperazin-1-yl)-2-(trifluoromethyl)aniline
PubChem CID63608539
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name4-(4-ethyl-3-methylpiperazin-1-yl)-2-(trifluoromethyl)aniline
SMILESCCN1CCN(c2ccc(N)c(C(F)(F)F)c2)CC1C
InChIInChI=1S/C14H20F3N3/c1-3-19-6-7-20(9-10(19)2)11-4-5-13(18)12(8-11)14(15,16)17/h4-5,8,10H,3,6-7,9,18H2,1-2H3
InChIKeyHQNDSGIMBIUYQP-UHFFFAOYSA-N
XLogP2.82
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-ethyl-3-methylpiperazin-1-yl)-2-(trifluoromethyl)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 4-(4-ethyl-3-methylpiperazin-1-yl)-2-(trifluoromethyl)aniline?
The IUPAC name of 4-(4-ethyl-3-methylpiperazin-1-yl)-2-(trifluoromethyl)aniline (CID 63608539) is 4-(4-ethyl-3-methylpiperazin-1-yl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(4-ethyl-3-methylpiperazin-1-yl)-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-(4-ethyl-3-methylpiperazin-1-yl)-2-(trifluoromethyl)aniline is CCN1CCN(c2ccc(N)c(C(F)(F)F)c2)CC1C.
What is the InChIKey of 4-(4-ethyl-3-methylpiperazin-1-yl)-2-(trifluoromethyl)aniline?
The InChIKey is HQNDSGIMBIUYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-3-19-6-7-20(9-10(19)2)11-4-5-13(18)12(8-11)14(15,16)17/h4-5,8,10H,3,6-7,9,18H2,1-2H3.
What are the key properties of 4-(4-ethyl-3-methylpiperazin-1-yl)-2-(trifluoromethyl)aniline?
4-(4-ethyl-3-methylpiperazin-1-yl)-2-(trifluoromethyl)aniline has a molecular weight of 287.33 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-3-methylpiperazin-1-yl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 63608539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).