2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone

C18H18F2N2O2 — CID 17193919

IUPAC2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(COc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H18F2N2O2/c19-14-6-7-17(16(20)12-14)24-13-18(23)22-10-8-21(9-11-22)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2
InChIKeyOPVHXGARJSQSLK-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.69
Rot. Bonds4

About 2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone

2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 17193919) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID17193919
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(COc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H18F2N2O2/c19-14-6-7-17(16(20)12-14)24-13-18(23)22-10-8-21(9-11-22)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2
InChIKeyOPVHXGARJSQSLK-UHFFFAOYSA-N
XLogP2.69
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone
CID 17190869
N-[2-(2,4-difluorophenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112976157
2-(2-bromo-4-fluorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 9081184
2-(2-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110756055
2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 823385
2-(2-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 716264
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 8867044
2-(2,4-dichlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 2304004
1-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55596207
2-(4-bromo-2-fluorophenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 26365760
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-(2,4-difluorophenoxy)ethanone
CID 46443133
2-(4-bromo-2-fluorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 31564856

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone (CID 17193919) is 2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone is O=C(COc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is OPVHXGARJSQSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c19-14-6-7-17(16(20)12-14)24-13-18(23)22-10-8-21(9-11-22)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2.
What are the key properties of 2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone?
2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 332.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 17193919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).