1-(4-ethylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one

C9H15F3N2O2 — CID 138607826

IUPAC1-(4-ethylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one
SMILESCCN1CCN(C(=O)C(O)C(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O2/c1-2-13-3-5-14(6-4-13)8(16)7(15)9(10,11)12/h7,15H,2-6H2,1H3
InChIKeyXDOYSDLTCBWDQT-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.07
Rot. Bonds2

About 1-(4-ethylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one

1-(4-ethylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one (PubChem CID 138607826) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one
PubChem CID138607826
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name1-(4-ethylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one
SMILESCCN1CCN(C(=O)C(O)C(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O2/c1-2-13-3-5-14(6-4-13)8(16)7(15)9(10,11)12/h7,15H,2-6H2,1H3
InChIKeyXDOYSDLTCBWDQT-UHFFFAOYSA-N
XLogP0.07
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one (CID 138607826) is 1-(4-ethylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one is CCN1CCN(C(=O)C(O)C(F)(F)F)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one?
The InChIKey is XDOYSDLTCBWDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-2-13-3-5-14(6-4-13)8(16)7(15)9(10,11)12/h7,15H,2-6H2,1H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one?
1-(4-ethylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one has a molecular weight of 240.22 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one is sourced from PubChem (CID 138607826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).