ethyl 3-(2-piperazin-1-ylethylamino)propanoate

C11H23N3O2 — CID 54544450

IUPACethyl 3-(2-piperazin-1-ylethylamino)propanoate
SMILESCCOC(=O)CCNCCN1CCNCC1
InChIInChI=1S/C11H23N3O2/c1-2-16-11(15)3-4-12-5-8-14-9-6-13-7-10-14/h12-13H,2-10H2,1H3
InChIKeyZFOASUZYNYVIET-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.57
Rot. Bonds7

About ethyl 3-(2-piperazin-1-ylethylamino)propanoate

ethyl 3-(2-piperazin-1-ylethylamino)propanoate (PubChem CID 54544450) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 3-(2-piperazin-1-ylethylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-piperazin-1-ylethylamino)propanoate
PubChem CID54544450
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Nameethyl 3-(2-piperazin-1-ylethylamino)propanoate
SMILESCCOC(=O)CCNCCN1CCNCC1
InChIInChI=1S/C11H23N3O2/c1-2-16-11(15)3-4-12-5-8-14-9-6-13-7-10-14/h12-13H,2-10H2,1H3
InChIKeyZFOASUZYNYVIET-UHFFFAOYSA-N
XLogP-0.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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ethyl 3-(piperidin-4-ylmethylamino)propanoate
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3-ethoxy-N-(2-piperazin-1-ylethyl)propan-1-amine
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ethyl 3-[2-(2-oxo-1-pyridinyl)ethylamino]propanoate
CID 82897754
[2-ethyl-2-(3-piperazin-1-ylpropanoyloxymethyl)butyl] 3-piperazin-1-ylpropanoate
CID 143370344
N-(2-piperazin-1-ylethyl)tetradecan-1-amine
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-piperazin-1-ylethylamino)propanoate?
The IUPAC name of ethyl 3-(2-piperazin-1-ylethylamino)propanoate (CID 54544450) is ethyl 3-(2-piperazin-1-ylethylamino)propanoate.
What is the SMILES notation for ethyl 3-(2-piperazin-1-ylethylamino)propanoate?
The canonical SMILES for ethyl 3-(2-piperazin-1-ylethylamino)propanoate is CCOC(=O)CCNCCN1CCNCC1.
What is the InChIKey of ethyl 3-(2-piperazin-1-ylethylamino)propanoate?
The InChIKey is ZFOASUZYNYVIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-2-16-11(15)3-4-12-5-8-14-9-6-13-7-10-14/h12-13H,2-10H2,1H3.
What are the key properties of ethyl 3-(2-piperazin-1-ylethylamino)propanoate?
ethyl 3-(2-piperazin-1-ylethylamino)propanoate has a molecular weight of 229.32 g/mol, XLogP of -0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-piperazin-1-ylethylamino)propanoate is sourced from PubChem (CID 54544450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).