ethyl 3-piperazin-1-ylpropanoate;dihydrochloride

C9H20Cl2N2O2 — CID 44717147

IUPACethyl 3-piperazin-1-ylpropanoate;dihydrochloride
SMILESCCOC(=O)CCN1CCNCC1.Cl.Cl
InChIInChI=1S/C9H18N2O2.2ClH/c1-2-13-9(12)3-6-11-7-4-10-5-8-11;;/h10H,2-8H2,1H3;2*1H
InChIKeyGAOSVGXZVALTIA-UHFFFAOYSA-N
MW259.18 g/mol
LogP0.69
Rot. Bonds4

About ethyl 3-piperazin-1-ylpropanoate;dihydrochloride

ethyl 3-piperazin-1-ylpropanoate;dihydrochloride (PubChem CID 44717147) has the molecular formula C9H20Cl2N2O2 and a molecular weight of 259.18 g/mol. Its IUPAC name is ethyl 3-piperazin-1-ylpropanoate;dihydrochloride.

Molecular Properties

Compound Nameethyl 3-piperazin-1-ylpropanoate;dihydrochloride
PubChem CID44717147
Molecular FormulaC9H20Cl2N2O2
Molecular Weight259.18 g/mol
Exact Mass258.09
IUPAC Nameethyl 3-piperazin-1-ylpropanoate;dihydrochloride
SMILESCCOC(=O)CCN1CCNCC1.Cl.Cl
InChIInChI=1S/C9H18N2O2.2ClH/c1-2-13-9(12)3-6-11-7-4-10-5-8-11;;/h10H,2-8H2,1H3;2*1H
InChIKeyGAOSVGXZVALTIA-UHFFFAOYSA-N
XLogP0.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 50.69
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;dihydrochloride?
The IUPAC name of ethyl 3-piperazin-1-ylpropanoate;dihydrochloride (CID 44717147) is ethyl 3-piperazin-1-ylpropanoate;dihydrochloride.
What is the SMILES notation for ethyl 3-piperazin-1-ylpropanoate;dihydrochloride?
The canonical SMILES for ethyl 3-piperazin-1-ylpropanoate;dihydrochloride is CCOC(=O)CCN1CCNCC1.Cl.Cl.
What is the InChIKey of ethyl 3-piperazin-1-ylpropanoate;dihydrochloride?
The InChIKey is GAOSVGXZVALTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.2ClH/c1-2-13-9(12)3-6-11-7-4-10-5-8-11;;/h10H,2-8H2,1H3;2*1H.
What are the key properties of ethyl 3-piperazin-1-ylpropanoate;dihydrochloride?
ethyl 3-piperazin-1-ylpropanoate;dihydrochloride has a molecular weight of 259.18 g/mol, XLogP of 0.69, 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;dihydrochloride is sourced from PubChem (CID 44717147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).