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

C19H21ClFN2O2- — CID 53351715

IUPAC1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone chloride
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/p-1
InChIKeyZVSXLGYZOKJUMV-UHFFFAOYSA-M
MW363.84 g/mol
LogP-0.16
Rot. Bonds5

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

1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone chloride (PubChem CID 53351715) has the molecular formula C19H21ClFN2O2- and a molecular weight of 363.84 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone chloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone chloride
PubChem CID53351715
Molecular FormulaC19H21ClFN2O2-
Molecular Weight363.84 g/mol
Exact Mass363.13
IUPAC Name1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone chloride
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/p-1
InChIKeyZVSXLGYZOKJUMV-UHFFFAOYSA-M
XLogP-0.16
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 9335653
2-amino-1-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 70470498
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 4122027
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-ylbenzamide
CID 78387585
(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylbut-2-enoic acid
CID 18954705
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone
CID 51363004
1-(4-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one
CID 11825129
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9335318
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methoxy]benzoic acid
CID 20985299
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 41337436
1-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 51363182

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone chloride?
The IUPAC name of 1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone chloride (CID 53351715) is 1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone chloride.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone chloride?
The canonical SMILES for 1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone chloride 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 chloride?
The InChIKey is ZVSXLGYZOKJUMV-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone chloride?
1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone chloride has a molecular weight of 363.84 g/mol, XLogP of -0.16, 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 chloride is sourced from PubChem (CID 53351715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).