1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone

C18H19FN2O2 — CID 807242

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H19FN2O2/c19-16-8-4-5-9-17(16)20-10-12-21(13-11-20)18(22)14-23-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyOBDNXHGDUUYZIG-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.55
Rot. Bonds4

About 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone (PubChem CID 807242) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone
PubChem CID807242
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H19FN2O2/c19-16-8-4-5-9-17(16)20-10-12-21(13-11-20)18(22)14-23-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyOBDNXHGDUUYZIG-UHFFFAOYSA-N
XLogP2.55
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 1310661
2-[3,5-bis(trifluoromethyl)phenoxy]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 55401372
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone
CID 7328592
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(hydroxymethyl)phenoxy]ethanone
CID 110891889
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115950323
1-(2-fluorophenyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 42652011
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 9483758
phenyl 4-(2-fluorophenyl)piperazine-1-carboxylate
CID 3414404
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 40726915
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]ethanone
CID 25238267
methyl 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]benzoate
CID 113078382

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone (CID 807242) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone?
The InChIKey is OBDNXHGDUUYZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-16-8-4-5-9-17(16)20-10-12-21(13-11-20)18(22)14-23-15-6-2-1-3-7-15/h1-9H,10-14H2.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone?
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone has a molecular weight of 314.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 807242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).