5-(trifluoromethyl)-2-(3,4,5-trimethylpiperazin-1-yl)aniline

C14H20F3N3 — CID 114543002

IUPAC5-(trifluoromethyl)-2-(3,4,5-trimethylpiperazin-1-yl)aniline
SMILESCC1CN(c2ccc(C(F)(F)F)cc2N)CC(C)N1C
InChIInChI=1S/C14H20F3N3/c1-9-7-20(8-10(2)19(9)3)13-5-4-11(6-12(13)18)14(15,16)17/h4-6,9-10H,7-8,18H2,1-3H3
InChIKeyZKVOWYBQOJHXAO-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.82
Rot. Bonds1

About 5-(trifluoromethyl)-2-(3,4,5-trimethylpiperazin-1-yl)aniline

5-(trifluoromethyl)-2-(3,4,5-trimethylpiperazin-1-yl)aniline (PubChem CID 114543002) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2-(3,4,5-trimethylpiperazin-1-yl)aniline.

Molecular Properties

Compound Name5-(trifluoromethyl)-2-(3,4,5-trimethylpiperazin-1-yl)aniline
PubChem CID114543002
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name5-(trifluoromethyl)-2-(3,4,5-trimethylpiperazin-1-yl)aniline
SMILESCC1CN(c2ccc(C(F)(F)F)cc2N)CC(C)N1C
InChIInChI=1S/C14H20F3N3/c1-9-7-20(8-10(2)19(9)3)13-5-4-11(6-12(13)18)14(15,16)17/h4-6,9-10H,7-8,18H2,1-3H3
InChIKeyZKVOWYBQOJHXAO-UHFFFAOYSA-N
XLogP2.82
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2-(3,4,5-trimethylpiperazin-1-yl)aniline?
The IUPAC name of 5-(trifluoromethyl)-2-(3,4,5-trimethylpiperazin-1-yl)aniline (CID 114543002) is 5-(trifluoromethyl)-2-(3,4,5-trimethylpiperazin-1-yl)aniline.
What is the SMILES notation for 5-(trifluoromethyl)-2-(3,4,5-trimethylpiperazin-1-yl)aniline?
The canonical SMILES for 5-(trifluoromethyl)-2-(3,4,5-trimethylpiperazin-1-yl)aniline is CC1CN(c2ccc(C(F)(F)F)cc2N)CC(C)N1C.
What is the InChIKey of 5-(trifluoromethyl)-2-(3,4,5-trimethylpiperazin-1-yl)aniline?
The InChIKey is ZKVOWYBQOJHXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-9-7-20(8-10(2)19(9)3)13-5-4-11(6-12(13)18)14(15,16)17/h4-6,9-10H,7-8,18H2,1-3H3.
What are the key properties of 5-(trifluoromethyl)-2-(3,4,5-trimethylpiperazin-1-yl)aniline?
5-(trifluoromethyl)-2-(3,4,5-trimethylpiperazin-1-yl)aniline has a molecular weight of 287.33 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2-(3,4,5-trimethylpiperazin-1-yl)aniline is sourced from PubChem (CID 114543002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).