1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone;hydrochloride

C15H20ClF3N2O2 — CID 120571561

IUPAC1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone;hydrochloride
SMILESCC1NCCN(C(=O)COc2ccc(C(F)(F)F)cc2)C1C.Cl
InChIInChI=1S/C15H19F3N2O2.ClH/c1-10-11(2)20(8-7-19-10)14(21)9-22-13-5-3-12(4-6-13)15(16,17)18;/h3-6,10-11,19H,7-9H2,1-2H3;1H
InChIKeyMFNDWDJLEZMTOD-UHFFFAOYSA-N
MW352.78 g/mol
LogP2.71
Rot. Bonds3

About 1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone;hydrochloride

1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone;hydrochloride (PubChem CID 120571561) has the molecular formula C15H20ClF3N2O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone;hydrochloride
PubChem CID120571561
Molecular FormulaC15H20ClF3N2O2
Molecular Weight352.78 g/mol
Exact Mass352.12
IUPAC Name1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone;hydrochloride
SMILESCC1NCCN(C(=O)COc2ccc(C(F)(F)F)cc2)C1C.Cl
InChIInChI=1S/C15H19F3N2O2.ClH/c1-10-11(2)20(8-7-19-10)14(21)9-22-13-5-3-12(4-6-13)15(16,17)18;/h3-6,10-11,19H,7-9H2,1-2H3;1H
InChIKeyMFNDWDJLEZMTOD-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 120573186
1-(2,3-dimethylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride
CID 120572583
1-(2,3-dimethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
CID 120572759
2-(4-chloro-3-methylphenoxy)-1-(2,3-dimethylpiperazin-1-yl)ethanone
CID 120572237
2-(3-bromophenoxy)-1-(2,3-dimethylpiperazin-1-yl)ethanone
CID 120569813
1-(2,3-dimethylpiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone;hydrochloride
CID 120569760
1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 120572097
(2,3-dimethylpiperazin-1-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone;dihydrochloride
CID 120571397
4-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropoxy]benzamide;hydrochloride
CID 120569945
1-[2-(aminomethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone;hydrochloride
CID 119468531
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 119633384
(2,3-dimethylpiperazin-1-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 120573034

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone;hydrochloride?
The IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone;hydrochloride (CID 120571561) is 1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone;hydrochloride.
What is the SMILES notation for 1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone;hydrochloride?
The canonical SMILES for 1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone;hydrochloride is CC1NCCN(C(=O)COc2ccc(C(F)(F)F)cc2)C1C.Cl.
What is the InChIKey of 1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone;hydrochloride?
The InChIKey is MFNDWDJLEZMTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2.ClH/c1-10-11(2)20(8-7-19-10)14(21)9-22-13-5-3-12(4-6-13)15(16,17)18;/h3-6,10-11,19H,7-9H2,1-2H3;1H.
What are the key properties of 1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone;hydrochloride?
1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone;hydrochloride has a molecular weight of 352.78 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone;hydrochloride is sourced from PubChem (CID 120571561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).