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

C14H19FN2O2 — CID 22199124

IUPACethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H19FN2O2/c1-2-19-14(18)11-16-7-9-17(10-8-16)13-6-4-3-5-12(13)15/h3-6H,2,7-11H2,1H3
InChIKeyAPRKMLFNLNFXOD-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.51
Rot. Bonds4

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

ethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]acetate (PubChem CID 22199124) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is ethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]acetate
PubChem CID22199124
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Nameethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H19FN2O2/c1-2-19-14(18)11-16-7-9-17(10-8-16)13-6-4-3-5-12(13)15/h3-6H,2,7-11H2,1H3
InChIKeyAPRKMLFNLNFXOD-UHFFFAOYSA-N
XLogP1.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]acetate (CID 22199124) is ethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]acetate is CCOC(=O)CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of ethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]acetate?
The InChIKey is APRKMLFNLNFXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-2-19-14(18)11-16-7-9-17(10-8-16)13-6-4-3-5-12(13)15/h3-6H,2,7-11H2,1H3.
What are the key properties of ethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]acetate?
ethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]acetate has a molecular weight of 266.32 g/mol, XLogP of 1.51, 4 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]acetate is sourced from PubChem (CID 22199124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).