ethyl 2-piperazin-1-ylpropanoate

C9H18N2O2 — CID 2736463

IUPACethyl 2-piperazin-1-ylpropanoate
SMILESCCOC(=O)C(C)N1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-3-13-9(12)8(2)11-6-4-10-5-7-11/h8,10H,3-7H2,1-2H3
InChIKeyLWPINFVZIFEBEG-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.16
Rot. Bonds3

About ethyl 2-piperazin-1-ylpropanoate

ethyl 2-piperazin-1-ylpropanoate (PubChem CID 2736463) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl 2-piperazin-1-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-piperazin-1-ylpropanoate
PubChem CID2736463
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Nameethyl 2-piperazin-1-ylpropanoate
SMILESCCOC(=O)C(C)N1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-3-13-9(12)8(2)11-6-4-10-5-7-11/h8,10H,3-7H2,1-2H3
InChIKeyLWPINFVZIFEBEG-UHFFFAOYSA-N
XLogP-0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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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Related Compounds

Ethyl piperazine-1-acetate
CID 207112
Ethyl 1,4-dimethylpiperazine-2-carboxylate
CID 2736419
Ethyl 2-[2-(1-ethoxycarbonylpropylamino)ethylamino]butanoate
CID 469945
tert-Butyl 2-piperazinoacetate
CID 2757326
Ethyl 1-(propan-2-yl)piperazine-2-carboxylate
CID 10559962
Methyl 2-{[2-(morpholin-4-yl)ethyl]amino}acetate
CID 28583171
Methyl 2-methyl-2-(piperazin-1-yl)propanoate
CID 61001258
Methyl 2-(piperazin-1-yl)butanoate
CID 61002490
Methyl 4-methylpiperazine-2-carboxylate dihydrochloride
CID 163355424
Methyl Piperazine-2-carboxylate
CID 2760426
Methyl 2-{[2-(4-methylpiperazin-1-yl)ethyl]amino}acetate
CID 82889193
Methyl 2-amino-3-(morpholin-4-yl)propanoate dihydrochloride
CID 91662887

Frequently Asked Questions

What is the IUPAC name of ethyl 2-piperazin-1-ylpropanoate?
The IUPAC name of ethyl 2-piperazin-1-ylpropanoate (CID 2736463) is ethyl 2-piperazin-1-ylpropanoate.
What is the SMILES notation for ethyl 2-piperazin-1-ylpropanoate?
The canonical SMILES for ethyl 2-piperazin-1-ylpropanoate is CCOC(=O)C(C)N1CCNCC1.
What is the InChIKey of ethyl 2-piperazin-1-ylpropanoate?
The InChIKey is LWPINFVZIFEBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-13-9(12)8(2)11-6-4-10-5-7-11/h8,10H,3-7H2,1-2H3.
What are the key properties of ethyl 2-piperazin-1-ylpropanoate?
ethyl 2-piperazin-1-ylpropanoate has a molecular weight of 186.25 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-piperazin-1-ylpropanoate is sourced from PubChem (CID 2736463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).