ethyl 3-piperazin-1-ylpropanoate

C9H18N2O2 — CID 2736466

IUPACethyl 3-piperazin-1-ylpropanoate
SMILESCCOC(=O)CCN1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-2-13-9(12)3-6-11-7-4-10-5-8-11/h10H,2-8H2,1H3
InChIKeyXCLNGVSHLDOGFR-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.16
Rot. Bonds4

About ethyl 3-piperazin-1-ylpropanoate

ethyl 3-piperazin-1-ylpropanoate (PubChem CID 2736466) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl 3-piperazin-1-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-piperazin-1-ylpropanoate
PubChem CID2736466
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Nameethyl 3-piperazin-1-ylpropanoate
SMILESCCOC(=O)CCN1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-2-13-9(12)3-6-11-7-4-10-5-8-11/h10H,2-8H2,1H3
InChIKeyXCLNGVSHLDOGFR-UHFFFAOYSA-N
XLogP-0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-piperazin-1-ylpropanoate?
The IUPAC name of ethyl 3-piperazin-1-ylpropanoate (CID 2736466) is ethyl 3-piperazin-1-ylpropanoate.
What is the SMILES notation for ethyl 3-piperazin-1-ylpropanoate?
The canonical SMILES for ethyl 3-piperazin-1-ylpropanoate is CCOC(=O)CCN1CCNCC1.
What is the InChIKey of ethyl 3-piperazin-1-ylpropanoate?
The InChIKey is XCLNGVSHLDOGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-13-9(12)3-6-11-7-4-10-5-8-11/h10H,2-8H2,1H3.
What are the key properties of ethyl 3-piperazin-1-ylpropanoate?
ethyl 3-piperazin-1-ylpropanoate has a molecular weight of 186.25 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-piperazin-1-ylpropanoate is sourced from PubChem (CID 2736466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).