ethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylacetate

C20H23FN2O2 — CID 2942766

IUPACethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H23FN2O2/c1-2-25-20(24)19(16-8-4-3-5-9-16)23-14-12-22(13-15-23)18-11-7-6-10-17(18)21/h3-11,19H,2,12-15H2,1H3
InChIKeyCNIGVBAGXCPSOC-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.25
Rot. Bonds5

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

ethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylacetate (PubChem CID 2942766) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is ethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylacetate
PubChem CID2942766
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Nameethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H23FN2O2/c1-2-25-20(24)19(16-8-4-3-5-9-16)23-14-12-22(13-15-23)18-11-7-6-10-17(18)21/h3-11,19H,2,12-15H2,1H3
InChIKeyCNIGVBAGXCPSOC-UHFFFAOYSA-N
XLogP3.25
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylacetate?
The IUPAC name of ethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylacetate (CID 2942766) is ethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylacetate?
The canonical SMILES for ethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylacetate is CCOC(=O)C(c1ccccc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of ethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylacetate?
The InChIKey is CNIGVBAGXCPSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-2-25-20(24)19(16-8-4-3-5-9-16)23-14-12-22(13-15-23)18-11-7-6-10-17(18)21/h3-11,19H,2,12-15H2,1H3.
What are the key properties of ethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylacetate?
ethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylacetate has a molecular weight of 342.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylacetate is sourced from PubChem (CID 2942766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).