methyl piperazine-2-carboxylate;dihydrochloride

C6H14Cl2N2O2 — CID 2760425

IUPACmethyl piperazine-2-carboxylate;dihydrochloride
SMILESCOC(=O)C1CNCCN1.Cl.Cl
InChIInChI=1S/C6H12N2O2.2ClH/c1-10-6(9)5-4-7-2-3-8-5;;/h5,7-8H,2-4H2,1H3;2*1H
InChIKeyZBYFDUSYNDLSND-UHFFFAOYSA-N
MW217.10 g/mol
LogP-0.44
Rot. Bonds1

About methyl piperazine-2-carboxylate;dihydrochloride

methyl piperazine-2-carboxylate;dihydrochloride (PubChem CID 2760425) has the molecular formula C6H14Cl2N2O2 and a molecular weight of 217.10 g/mol. Its IUPAC name is methyl piperazine-2-carboxylate;dihydrochloride.

Molecular Properties

Compound Namemethyl piperazine-2-carboxylate;dihydrochloride
PubChem CID2760425
Molecular FormulaC6H14Cl2N2O2
Molecular Weight217.10 g/mol
Exact Mass216.04
IUPAC Namemethyl piperazine-2-carboxylate;dihydrochloride
SMILESCOC(=O)C1CNCCN1.Cl.Cl
InChIInChI=1S/C6H12N2O2.2ClH/c1-10-6(9)5-4-7-2-3-8-5;;/h5,7-8H,2-4H2,1H3;2*1H
InChIKeyZBYFDUSYNDLSND-UHFFFAOYSA-N
XLogP-0.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.10
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl piperazine-2-carboxylate;dihydrochloride?
The IUPAC name of methyl piperazine-2-carboxylate;dihydrochloride (CID 2760425) is methyl piperazine-2-carboxylate;dihydrochloride.
What is the SMILES notation for methyl piperazine-2-carboxylate;dihydrochloride?
The canonical SMILES for methyl piperazine-2-carboxylate;dihydrochloride is COC(=O)C1CNCCN1.Cl.Cl.
What is the InChIKey of methyl piperazine-2-carboxylate;dihydrochloride?
The InChIKey is ZBYFDUSYNDLSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.2ClH/c1-10-6(9)5-4-7-2-3-8-5;;/h5,7-8H,2-4H2,1H3;2*1H.
What are the key properties of methyl piperazine-2-carboxylate;dihydrochloride?
methyl piperazine-2-carboxylate;dihydrochloride has a molecular weight of 217.10 g/mol, XLogP of -0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl piperazine-2-carboxylate;dihydrochloride is sourced from PubChem (CID 2760425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).