2-(4-ethoxyphenyl)-1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]ethanone

C22H27FN2O3 — CID 110638301

IUPAC2-(4-ethoxyphenyl)-1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCN(CCOc3ccccc3F)CC2)cc1
InChIInChI=1S/C22H27FN2O3/c1-2-27-19-9-7-18(8-10-19)17-22(26)25-13-11-24(12-14-25)15-16-28-21-6-4-3-5-20(21)23/h3-10H,2,11-17H2,1H3
InChIKeyLVCSHALHGUEFDI-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.99
Rot. Bonds8

About 2-(4-ethoxyphenyl)-1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]ethanone

2-(4-ethoxyphenyl)-1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]ethanone (PubChem CID 110638301) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]ethanone
PubChem CID110638301
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name2-(4-ethoxyphenyl)-1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCN(CCOc3ccccc3F)CC2)cc1
InChIInChI=1S/C22H27FN2O3/c1-2-27-19-9-7-18(8-10-19)17-22(26)25-13-11-24(12-14-25)15-16-28-21-6-4-3-5-20(21)23/h3-10H,2,11-17H2,1H3
InChIKeyLVCSHALHGUEFDI-UHFFFAOYSA-N
XLogP2.99
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 110411560
2-(4-chlorophenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]ethanone
CID 110638356
1-[2-[4-(fluoromethyl)phenoxy]ethyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine
CID 123651521
1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110638323
3-(4-ethoxyphenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]propan-1-one
CID 67299157
2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578
2-(2-fluorophenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 78788994
2-(4-ethoxyphenyl)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]ethanone
CID 110293051
1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-3-[4-(trifluoromethylsulfonyl)phenyl]propan-1-one
CID 67299076
2-(4-ethoxyphenyl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95348538
2-(4-fluorophenyl)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]ethanone
CID 110412042

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]ethanone (CID 110638301) is 2-(4-ethoxyphenyl)-1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]ethanone is CCOc1ccc(CC(=O)N2CCN(CCOc3ccccc3F)CC2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]ethanone?
The InChIKey is LVCSHALHGUEFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-2-27-19-9-7-18(8-10-19)17-22(26)25-13-11-24(12-14-25)15-16-28-21-6-4-3-5-20(21)23/h3-10H,2,11-17H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]ethanone?
2-(4-ethoxyphenyl)-1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]ethanone has a molecular weight of 386.47 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 110638301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).