ethyl 2-(4-phenylpiperazin-1-yl)acetate

C14H20N2O2 — CID 3044259

IUPACethyl 2-(4-phenylpiperazin-1-yl)acetate
SMILESCCOC(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C14H20N2O2/c1-2-18-14(17)12-15-8-10-16(11-9-15)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKeyOHSLVANDVCNDGK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.37
Rot. Bonds4

About ethyl 2-(4-phenylpiperazin-1-yl)acetate

ethyl 2-(4-phenylpiperazin-1-yl)acetate (PubChem CID 3044259) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is ethyl 2-(4-phenylpiperazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-phenylpiperazin-1-yl)acetate
PubChem CID3044259
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nameethyl 2-(4-phenylpiperazin-1-yl)acetate
SMILESCCOC(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C14H20N2O2/c1-2-18-14(17)12-15-8-10-16(11-9-15)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKeyOHSLVANDVCNDGK-UHFFFAOYSA-N
XLogP1.37
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-hydroxy-4-(4-phenylpiperazin-1-yl)butanoate
CID 82771388
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
ethyl 2-(7-oxo-4-phenyl-1,4-diazepan-1-yl)acetate
CID 22008730
ethyl 4-oxo-4-(4-phenylpiperazin-1-yl)butanoate
CID 60636216
ethyl 2-(4-tritylpiperazin-1-yl)acetate
CID 10158732
sodium;ethyl 2-[4,7,10-tris(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;iodide
CID 23722784
[(2R)-1-hydrazinyl-1-oxopropan-2-yl] 2-(4-phenylpiperazin-1-yl)acetate
CID 99906797
ethyl 2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]acetate
CID 6445279
ethyl 3-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]benzoate
CID 174360988
ethyl 2-[4-(3-benzhydrylbenzimidazol-5-yl)piperazin-1-yl]acetate
CID 139507928
ethyl 4-oxo-3-[2-(4-phenylpiperazin-1-yl)acetyl]quinolizine-1-carboxylate
CID 600176
ethyl 2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]acetate
CID 3809262

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-phenylpiperazin-1-yl)acetate?
The IUPAC name of ethyl 2-(4-phenylpiperazin-1-yl)acetate (CID 3044259) is ethyl 2-(4-phenylpiperazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-phenylpiperazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-phenylpiperazin-1-yl)acetate is CCOC(=O)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of ethyl 2-(4-phenylpiperazin-1-yl)acetate?
The InChIKey is OHSLVANDVCNDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-18-14(17)12-15-8-10-16(11-9-15)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3.
What are the key properties of ethyl 2-(4-phenylpiperazin-1-yl)acetate?
ethyl 2-(4-phenylpiperazin-1-yl)acetate has a molecular weight of 248.33 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-phenylpiperazin-1-yl)acetate is sourced from PubChem (CID 3044259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).