2-(3-methoxyphenoxy)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride

C15H20ClF3N2O3 — CID 71782662

IUPAC2-(3-methoxyphenoxy)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCOc1cccc(OCC(=O)N2CCN(CC(F)(F)F)CC2)c1.Cl
InChIInChI=1S/C15H19F3N2O3.ClH/c1-22-12-3-2-4-13(9-12)23-10-14(21)20-7-5-19(6-8-20)11-15(16,17)18;/h2-4,9H,5-8,10-11H2,1H3;1H
InChIKeyLZKXLASCQDEPMK-UHFFFAOYSA-N
MW368.78 g/mol
LogP2.20
Rot. Bonds5

About 2-(3-methoxyphenoxy)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride

2-(3-methoxyphenoxy)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 71782662) has the molecular formula C15H20ClF3N2O3 and a molecular weight of 368.78 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID71782662
Molecular FormulaC15H20ClF3N2O3
Molecular Weight368.78 g/mol
Exact Mass368.11
IUPAC Name2-(3-methoxyphenoxy)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCOc1cccc(OCC(=O)N2CCN(CC(F)(F)F)CC2)c1.Cl
InChIInChI=1S/C15H19F3N2O3.ClH/c1-22-12-3-2-4-13(9-12)23-10-14(21)20-7-5-19(6-8-20)11-15(16,17)18;/h2-4,9H,5-8,10-11H2,1H3;1H
InChIKeyLZKXLASCQDEPMK-UHFFFAOYSA-N
XLogP2.20
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.78
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride
CID 71782661
3-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]-3-oxopropanoate
CID 2050396
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 780106
1-(1,4-diazepan-1-yl)-2-(3-methoxyphenoxy)ethanone;hydrochloride
CID 119414905
2-fluoro-N-[2-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethyl]benzamide
CID 75467420
2-(3-methoxyphenoxy)-1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122343448
1-(4-benzylpiperazin-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone
CID 22264488
4-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]-3,5-dimethylbenzaldehyde
CID 2052205
1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
CID 4636229
2-(3-methoxyphenoxy)-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 30936275
2-(3-methoxyphenoxy)-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122341561

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(3-methoxyphenoxy)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride (CID 71782662) is 2-(3-methoxyphenoxy)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(3-methoxyphenoxy)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(3-methoxyphenoxy)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride is COc1cccc(OCC(=O)N2CCN(CC(F)(F)F)CC2)c1.Cl.
What is the InChIKey of 2-(3-methoxyphenoxy)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is LZKXLASCQDEPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3.ClH/c1-22-12-3-2-4-13(9-12)23-10-14(21)20-7-5-19(6-8-20)11-15(16,17)18;/h2-4,9H,5-8,10-11H2,1H3;1H.
What are the key properties of 2-(3-methoxyphenoxy)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride?
2-(3-methoxyphenoxy)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 368.78 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 71782662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).