acetic acid;ethyl 2-piperazin-2-ylbenzoate

C15H22N2O4 — CID 19610475

IUPACacetic acid;ethyl 2-piperazin-2-ylbenzoate
SMILESCC(=O)O.CCOC(=O)c1ccccc1C1CNCCN1
InChIInChI=1S/C13H18N2O2.C2H4O2/c1-2-17-13(16)11-6-4-3-5-10(11)12-9-14-7-8-15-12;1-2(3)4/h3-6,12,14-15H,2,7-9H2,1H3;1H3,(H,3,4)
InChIKeyMIPGBZFJXICZHB-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.19
Rot. Bonds3

About acetic acid;ethyl 2-piperazin-2-ylbenzoate

acetic acid;ethyl 2-piperazin-2-ylbenzoate (PubChem CID 19610475) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is acetic acid;ethyl 2-piperazin-2-ylbenzoate.

Molecular Properties

Compound Nameacetic acid;ethyl 2-piperazin-2-ylbenzoate
PubChem CID19610475
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nameacetic acid;ethyl 2-piperazin-2-ylbenzoate
SMILESCC(=O)O.CCOC(=O)c1ccccc1C1CNCCN1
InChIInChI=1S/C13H18N2O2.C2H4O2/c1-2-17-13(16)11-6-4-3-5-10(11)12-9-14-7-8-15-12;1-2(3)4/h3-6,12,14-15H,2,7-9H2,1H3;1H3,(H,3,4)
InChIKeyMIPGBZFJXICZHB-UHFFFAOYSA-N
XLogP1.19
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetic acid;ethyl 2-piperazin-2-ylbenzoate?
The IUPAC name of acetic acid;ethyl 2-piperazin-2-ylbenzoate (CID 19610475) is acetic acid;ethyl 2-piperazin-2-ylbenzoate.
What is the SMILES notation for acetic acid;ethyl 2-piperazin-2-ylbenzoate?
The canonical SMILES for acetic acid;ethyl 2-piperazin-2-ylbenzoate is CC(=O)O.CCOC(=O)c1ccccc1C1CNCCN1.
What is the InChIKey of acetic acid;ethyl 2-piperazin-2-ylbenzoate?
The InChIKey is MIPGBZFJXICZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.C2H4O2/c1-2-17-13(16)11-6-4-3-5-10(11)12-9-14-7-8-15-12;1-2(3)4/h3-6,12,14-15H,2,7-9H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;ethyl 2-piperazin-2-ylbenzoate?
acetic acid;ethyl 2-piperazin-2-ylbenzoate has a molecular weight of 294.35 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethyl 2-piperazin-2-ylbenzoate is sourced from PubChem (CID 19610475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).