1-(4-ethylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone

C15H19F3N2O2 — CID 71102368

IUPAC1-(4-ethylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone
SMILESCCN1CCN(C(=O)Cc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C15H19F3N2O2/c1-2-19-6-8-20(9-7-19)14(21)11-12-4-3-5-13(10-12)22-15(16,17)18/h3-5,10H,2,6-9,11H2,1H3
InChIKeyJVULQWHFIXUHET-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.29
Rot. Bonds4

About 1-(4-ethylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone

1-(4-ethylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone (PubChem CID 71102368) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone
PubChem CID71102368
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone
SMILESCCN1CCN(C(=O)Cc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C15H19F3N2O2/c1-2-19-6-8-20(9-7-19)14(21)11-12-4-3-5-13(10-12)22-15(16,17)18/h3-5,10H,2,6-9,11H2,1H3
InChIKeyJVULQWHFIXUHET-UHFFFAOYSA-N
XLogP2.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone (CID 71102368) is 1-(4-ethylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone is CCN1CCN(C(=O)Cc2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is JVULQWHFIXUHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-2-19-6-8-20(9-7-19)14(21)11-12-4-3-5-13(10-12)22-15(16,17)18/h3-5,10H,2,6-9,11H2,1H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone?
1-(4-ethylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 316.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 71102368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).