ethyl 3-(4-ethylpiperazin-1-yl)propanoate

C11H22N2O2 — CID 43242681

IUPACethyl 3-(4-ethylpiperazin-1-yl)propanoate
SMILESCCOC(=O)CCN1CCN(CC)CC1
InChIInChI=1S/C11H22N2O2/c1-3-12-7-9-13(10-8-12)6-5-11(14)15-4-2/h3-10H2,1-2H3
InChIKeyRNHFPZRWWUSXTJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.58
Rot. Bonds5

About ethyl 3-(4-ethylpiperazin-1-yl)propanoate

ethyl 3-(4-ethylpiperazin-1-yl)propanoate (PubChem CID 43242681) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethyl 3-(4-ethylpiperazin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-ethylpiperazin-1-yl)propanoate
PubChem CID43242681
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameethyl 3-(4-ethylpiperazin-1-yl)propanoate
SMILESCCOC(=O)CCN1CCN(CC)CC1
InChIInChI=1S/C11H22N2O2/c1-3-12-7-9-13(10-8-12)6-5-11(14)15-4-2/h3-10H2,1-2H3
InChIKeyRNHFPZRWWUSXTJ-UHFFFAOYSA-N
XLogP0.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-ethylpiperazin-1-yl)propanoate?
The IUPAC name of ethyl 3-(4-ethylpiperazin-1-yl)propanoate (CID 43242681) is ethyl 3-(4-ethylpiperazin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(4-ethylpiperazin-1-yl)propanoate?
The canonical SMILES for ethyl 3-(4-ethylpiperazin-1-yl)propanoate is CCOC(=O)CCN1CCN(CC)CC1.
What is the InChIKey of ethyl 3-(4-ethylpiperazin-1-yl)propanoate?
The InChIKey is RNHFPZRWWUSXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-12-7-9-13(10-8-12)6-5-11(14)15-4-2/h3-10H2,1-2H3.
What are the key properties of ethyl 3-(4-ethylpiperazin-1-yl)propanoate?
ethyl 3-(4-ethylpiperazin-1-yl)propanoate has a molecular weight of 214.31 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-ethylpiperazin-1-yl)propanoate is sourced from PubChem (CID 43242681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).