methyl 2-(4-ethylpiperazin-1-yl)benzoate

C14H20N2O2 — CID 99973041

IUPACmethyl 2-(4-ethylpiperazin-1-yl)benzoate
SMILESCCN1CCN(c2ccccc2C(=O)OC)CC1
InChIInChI=1S/C14H20N2O2/c1-3-15-8-10-16(11-9-15)13-7-5-4-6-12(13)14(17)18-2/h4-7H,3,8-11H2,1-2H3
InChIKeyBPRGPHKGLDKAFH-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.62
Rot. Bonds3

About methyl 2-(4-ethylpiperazin-1-yl)benzoate

methyl 2-(4-ethylpiperazin-1-yl)benzoate (PubChem CID 99973041) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is methyl 2-(4-ethylpiperazin-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-(4-ethylpiperazin-1-yl)benzoate
PubChem CID99973041
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namemethyl 2-(4-ethylpiperazin-1-yl)benzoate
SMILESCCN1CCN(c2ccccc2C(=O)OC)CC1
InChIInChI=1S/C14H20N2O2/c1-3-15-8-10-16(11-9-15)13-7-5-4-6-12(13)14(17)18-2/h4-7H,3,8-11H2,1-2H3
InChIKeyBPRGPHKGLDKAFH-UHFFFAOYSA-N
XLogP1.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(4-ethylpiperazin-1-yl)benzoate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-(azetidin-1-yl)benzoate
CID 131095388
methyl 2-[3-chloro-4-(4-ethylpiperazin-1-yl)-2,5-dioxopyrrol-1-yl]benzoate
CID 1180128
methyl 2-[4-(2-phenylacetyl)piperazin-1-yl]benzoate
CID 113078376
methyl 2-(4-benzoylpiperazin-1-yl)benzoate
CID 113078358
methyl 2-(4-ethylpiperazin-1-yl)-5-nitrobenzoate
CID 3137785
methyl 2-[4-(benzylcarbamoyl)piperazin-1-yl]benzoate
CID 113106604
methyl 2-[4-(tert-butylcarbamoyl)piperazin-1-yl]benzoate
CID 113110433
methyl 2-[[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108944622
methyl 2-[4-(2-aminoethyl)piperidin-1-yl]benzoate
CID 117003563
methyl 2-[4-[(2-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113699
methyl 2-[4-[(4-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113775
methyl 2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]benzoate
CID 113078375

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-ethylpiperazin-1-yl)benzoate?
The IUPAC name of methyl 2-(4-ethylpiperazin-1-yl)benzoate (CID 99973041) is methyl 2-(4-ethylpiperazin-1-yl)benzoate.
What is the SMILES notation for methyl 2-(4-ethylpiperazin-1-yl)benzoate?
The canonical SMILES for methyl 2-(4-ethylpiperazin-1-yl)benzoate is CCN1CCN(c2ccccc2C(=O)OC)CC1.
What is the InChIKey of methyl 2-(4-ethylpiperazin-1-yl)benzoate?
The InChIKey is BPRGPHKGLDKAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-15-8-10-16(11-9-15)13-7-5-4-6-12(13)14(17)18-2/h4-7H,3,8-11H2,1-2H3.
What are the key properties of methyl 2-(4-ethylpiperazin-1-yl)benzoate?
methyl 2-(4-ethylpiperazin-1-yl)benzoate has a molecular weight of 248.33 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-ethylpiperazin-1-yl)benzoate is sourced from PubChem (CID 99973041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).