ethyl piperazine-2-carboxylate;dihydrochloride

C7H16Cl2N2O2 — CID 11253230

IUPACethyl piperazine-2-carboxylate;dihydrochloride
SMILESCCOC(=O)C1CNCCN1.Cl.Cl
InChIInChI=1S/C7H14N2O2.2ClH/c1-2-11-7(10)6-5-8-3-4-9-6;;/h6,8-9H,2-5H2,1H3;2*1H
InChIKeyXUILSFCCCIHPIE-UHFFFAOYSA-N
MW231.12 g/mol
LogP-0.05
Rot. Bonds2

About ethyl piperazine-2-carboxylate;dihydrochloride

ethyl piperazine-2-carboxylate;dihydrochloride (PubChem CID 11253230) has the molecular formula C7H16Cl2N2O2 and a molecular weight of 231.12 g/mol. Its IUPAC name is ethyl piperazine-2-carboxylate;dihydrochloride.

Molecular Properties

Compound Nameethyl piperazine-2-carboxylate;dihydrochloride
PubChem CID11253230
Molecular FormulaC7H16Cl2N2O2
Molecular Weight231.12 g/mol
Exact Mass230.06
IUPAC Nameethyl piperazine-2-carboxylate;dihydrochloride
SMILESCCOC(=O)C1CNCCN1.Cl.Cl
InChIInChI=1S/C7H14N2O2.2ClH/c1-2-11-7(10)6-5-8-3-4-9-6;;/h6,8-9H,2-5H2,1H3;2*1H
InChIKeyXUILSFCCCIHPIE-UHFFFAOYSA-N
XLogP-0.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl piperazine-2-carboxylate;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl piperazine-2-carboxylate;dihydrochloride?
The IUPAC name of ethyl piperazine-2-carboxylate;dihydrochloride (CID 11253230) is ethyl piperazine-2-carboxylate;dihydrochloride.
What is the SMILES notation for ethyl piperazine-2-carboxylate;dihydrochloride?
The canonical SMILES for ethyl piperazine-2-carboxylate;dihydrochloride is CCOC(=O)C1CNCCN1.Cl.Cl.
What is the InChIKey of ethyl piperazine-2-carboxylate;dihydrochloride?
The InChIKey is XUILSFCCCIHPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.2ClH/c1-2-11-7(10)6-5-8-3-4-9-6;;/h6,8-9H,2-5H2,1H3;2*1H.
What are the key properties of ethyl piperazine-2-carboxylate;dihydrochloride?
ethyl piperazine-2-carboxylate;dihydrochloride has a molecular weight of 231.12 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl piperazine-2-carboxylate;dihydrochloride is sourced from PubChem (CID 11253230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).