1-(4-ethylpiperazin-1-yl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone

C16H21F3N2O3 — CID 56824387

IUPAC1-(4-ethylpiperazin-1-yl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
SMILESCCN1CCN(C(=O)COc2ccccc2OCC(F)(F)F)CC1
InChIInChI=1S/C16H21F3N2O3/c1-2-20-7-9-21(10-8-20)15(22)11-23-13-5-3-4-6-14(13)24-12-16(17,18)19/h3-6H,2,7-12H2,1H3
InChIKeyKWLFPYYHPRVDSV-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.17
Rot. Bonds6

About 1-(4-ethylpiperazin-1-yl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone

1-(4-ethylpiperazin-1-yl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone (PubChem CID 56824387) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
PubChem CID56824387
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
SMILESCCN1CCN(C(=O)COc2ccccc2OCC(F)(F)F)CC1
InChIInChI=1S/C16H21F3N2O3/c1-2-20-7-9-21(10-8-20)15(22)11-23-13-5-3-4-6-14(13)24-12-16(17,18)19/h3-6H,2,7-12H2,1H3
InChIKeyKWLFPYYHPRVDSV-UHFFFAOYSA-N
XLogP2.17
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 124589394
1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone
CID 95607032
2,2,2-trifluoro-1-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108533450
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 119622438
1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 95345574
1-(4-ethylpiperazin-1-yl)-2-quinolin-8-yloxyethanone
CID 110849960
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 124611313
1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 108568632
2-(2-methoxyphenoxy)-1-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 113078007
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone
CID 22265251
4-[2-(2-methoxyphenoxy)acetyl]piperazine-1-carbothioamide
CID 2050365
N-(2-ethylphenyl)-2-[4-[2-[2-(trifluoromethyl)phenoxy]acetyl]piperazin-1-yl]acetamide
CID 39015022

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone (CID 56824387) is 1-(4-ethylpiperazin-1-yl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone is CCN1CCN(C(=O)COc2ccccc2OCC(F)(F)F)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone?
The InChIKey is KWLFPYYHPRVDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c1-2-20-7-9-21(10-8-20)15(22)11-23-13-5-3-4-6-14(13)24-12-16(17,18)19/h3-6H,2,7-12H2,1H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone?
1-(4-ethylpiperazin-1-yl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone has a molecular weight of 346.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone is sourced from PubChem (CID 56824387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).