2-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)aniline

C13H18F3N3 — CID 67533765

IUPAC2-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)aniline
SMILESCCN1CCN(c2cccc(C(F)(F)F)c2N)CC1
InChIInChI=1S/C13H18F3N3/c1-2-18-6-8-19(9-7-18)11-5-3-4-10(12(11)17)13(14,15)16/h3-5H,2,6-9,17H2,1H3
InChIKeyBWIPZQANMOIMBZ-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.43
Rot. Bonds2

About 2-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)aniline

2-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)aniline (PubChem CID 67533765) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)aniline
PubChem CID67533765
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC Name2-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)aniline
SMILESCCN1CCN(c2cccc(C(F)(F)F)c2N)CC1
InChIInChI=1S/C13H18F3N3/c1-2-18-6-8-19(9-7-18)11-5-3-4-10(12(11)17)13(14,15)16/h3-5H,2,6-9,17H2,1H3
InChIKeyBWIPZQANMOIMBZ-UHFFFAOYSA-N
XLogP2.43
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-[2-methyl-3-(trifluoromethyl)phenyl]piperazine
CID 67531988
2-morpholin-4-yl-6-(trifluoromethyl)aniline
CID 131862502
[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine
CID 79016220
2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]aniline
CID 104834492
1-[2-chloro-3-(4-ethylpiperazin-1-yl)phenyl]-2,2,2-trifluoroethanone
CID 67532477
2-(4-ethylpiperazin-1-yl)-4-fluoroaniline
CID 62377784
4-(4-propylpiperazin-1-yl)-3-(trifluoromethyl)aniline
CID 60925353
6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-amine
CID 139693229
2-chloro-6-(4-ethylpiperazin-1-yl)aniline;2-chloro-6-[4-(2-methoxyethyl)piperazin-1-yl]aniline;2-chloro-6-(4-propylpiperazin-1-yl)aniline
CID 158515954
3,6,9-triethyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene
CID 59119738
4-(4-ethylpiperazin-1-yl)oxy-3-(trifluoromethyl)aniline
CID 169032840
6-(4-ethylpiperazin-1-yl)quinolin-5-amine
CID 43809494

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)aniline?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)aniline (CID 67533765) is 2-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)aniline?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)aniline is CCN1CCN(c2cccc(C(F)(F)F)c2N)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)aniline?
The InChIKey is BWIPZQANMOIMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-2-18-6-8-19(9-7-18)11-5-3-4-10(12(11)17)13(14,15)16/h3-5H,2,6-9,17H2,1H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)aniline?
2-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)aniline has a molecular weight of 273.30 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)aniline is sourced from PubChem (CID 67533765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).