1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride

C15H20ClF3N2O — CID 120741414

IUPAC1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)CC(F)(F)F)cc1.Cl
InChIInChI=1S/C15H19F3N2O.ClH/c1-2-11-3-5-12(6-4-11)13-10-19-7-8-20(13)14(21)9-15(16,17)18;/h3-6,13,19H,2,7-10H2,1H3;1H
InChIKeyYQLRIPMFLMRVDZ-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.10
Rot. Bonds3

About 1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride

1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride (PubChem CID 120741414) has the molecular formula C15H20ClF3N2O and a molecular weight of 336.79 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride
PubChem CID120741414
Molecular FormulaC15H20ClF3N2O
Molecular Weight336.79 g/mol
Exact Mass336.12
IUPAC Name1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)CC(F)(F)F)cc1.Cl
InChIInChI=1S/C15H19F3N2O.ClH/c1-2-11-3-5-12(6-4-11)13-10-19-7-8-20(13)14(21)9-15(16,17)18;/h3-6,13,19H,2,7-10H2,1H3;1H
InChIKeyYQLRIPMFLMRVDZ-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 120740374
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone
CID 120741179
N-[4-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride
CID 120741686
N-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 120741447
2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120741616
2-butoxy-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120740942
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 120758156
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride
CID 120741482
cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740582
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120741416

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride?
The IUPAC name of 1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride (CID 120741414) is 1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride.
What is the SMILES notation for 1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride?
The canonical SMILES for 1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride is CCc1ccc(C2CNCCN2C(=O)CC(F)(F)F)cc1.Cl.
What is the InChIKey of 1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride?
The InChIKey is YQLRIPMFLMRVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O.ClH/c1-2-11-3-5-12(6-4-11)13-10-19-7-8-20(13)14(21)9-15(16,17)18;/h3-6,13,19H,2,7-10H2,1H3;1H.
What are the key properties of 1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride?
1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride has a molecular weight of 336.79 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride is sourced from PubChem (CID 120741414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).