1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride

C19H22ClFN2O2 — CID 24746921

IUPAC1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCOc1ccccc1N1CCN(CC(=O)c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C19H21FN2O2.ClH/c1-24-19-5-3-2-4-17(19)22-12-10-21(11-13-22)14-18(23)15-6-8-16(20)9-7-15;/h2-9H,10-14H2,1H3;1H
InChIKeyZVSXLGYZOKJUMV-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.26
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride

1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 24746921) has the molecular formula C19H22ClFN2O2 and a molecular weight of 364.85 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID24746921
Molecular FormulaC19H22ClFN2O2
Molecular Weight364.85 g/mol
Exact Mass364.14
IUPAC Name1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCOc1ccccc1N1CCN(CC(=O)c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C19H21FN2O2.ClH/c1-24-19-5-3-2-4-17(19)22-12-10-21(11-13-22)14-18(23)15-6-8-16(20)9-7-15;/h2-9H,10-14H2,1H3;1H
InChIKeyZVSXLGYZOKJUMV-UHFFFAOYSA-N
XLogP3.26
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride (CID 24746921) is 1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride is COc1ccccc1N1CCN(CC(=O)c2ccc(F)cc2)CC1.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is ZVSXLGYZOKJUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2.ClH/c1-24-19-5-3-2-4-17(19)22-12-10-21(11-13-22)14-18(23)15-6-8-16(20)9-7-15;/h2-9H,10-14H2,1H3;1H.
What are the key properties of 1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride?
1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 364.85 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 24746921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).