[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine

C14H20F3N3 — CID 79016220

IUPAC[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine
SMILESCCN1CCN(c2ccc(CN)cc2C(F)(F)F)CC1
InChIInChI=1S/C14H20F3N3/c1-2-19-5-7-20(8-6-19)13-4-3-11(10-18)9-12(13)14(15,16)17/h3-4,9H,2,5-8,10,18H2,1H3
InChIKeyPNHFLTGAUYVSIU-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.31
Rot. Bonds3

About [4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine

[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 79016220) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is [4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine
PubChem CID79016220
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine
SMILESCCN1CCN(c2ccc(CN)cc2C(F)(F)F)CC1
InChIInChI=1S/C14H20F3N3/c1-2-19-5-7-20(8-6-19)13-4-3-11(10-18)9-12(13)14(15,16)17/h3-4,9H,2,5-8,10,18H2,1H3
InChIKeyPNHFLTGAUYVSIU-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine 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)-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine (CID 79016220) is [4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine is CCN1CCN(c2ccc(CN)cc2C(F)(F)F)CC1.
What is the InChIKey of [4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is PNHFLTGAUYVSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-2-19-5-7-20(8-6-19)13-4-3-11(10-18)9-12(13)14(15,16)17/h3-4,9H,2,5-8,10,18H2,1H3.
What are the key properties of [4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine?
[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 287.33 g/mol, XLogP of 2.31, 3 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)-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 79016220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).