2-(2-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

C19H21FN2O2 — CID 110756055

IUPAC2-(2-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)COc3ccccc3F)CC2)c1
InChIInChI=1S/C19H21FN2O2/c1-15-5-4-6-16(13-15)21-9-11-22(12-10-21)19(23)14-24-18-8-3-2-7-17(18)20/h2-8,13H,9-12,14H2,1H3
InChIKeyCTSCVZAPJAJLHZ-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.86
Rot. Bonds4

About 2-(2-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

2-(2-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone (PubChem CID 110756055) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
PubChem CID110756055
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name2-(2-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)COc3ccccc3F)CC2)c1
InChIInChI=1S/C19H21FN2O2/c1-15-5-4-6-16(13-15)21-9-11-22(12-10-21)19(23)14-24-18-8-3-2-7-17(18)20/h2-8,13H,9-12,14H2,1H3
InChIKeyCTSCVZAPJAJLHZ-UHFFFAOYSA-N
XLogP2.86
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 18120423
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 8867044
2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 17193919
2-(4-acetyl-2-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 27041250
2-(4-bromophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 18120422
2-(4-benzoylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 41162791
1-(2-fluorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]butane-1,4-dione
CID 110413769
2-(2-fluorophenoxy)-1-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122339473
2-(2,5-dimethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 17217386
2-(2,4-dimethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 965458
2-fluoro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 18120436
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone (CID 110756055) is 2-(2-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone is Cc1cccc(N2CCN(C(=O)COc3ccccc3F)CC2)c1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The InChIKey is CTSCVZAPJAJLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-15-5-4-6-16(13-15)21-9-11-22(12-10-21)19(23)14-24-18-8-3-2-7-17(18)20/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 2-(2-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
2-(2-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone has a molecular weight of 328.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110756055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).