methyl piperazine-2-carboxylate

C6H12N2O2 — CID 2760426

IUPACmethyl piperazine-2-carboxylate
SMILESCOC(=O)C1CNCCN1
InChIInChI=1S/C6H12N2O2/c1-10-6(9)5-4-7-2-3-8-5/h5,7-8H,2-4H2,1H3
InChIKeyODQZNBWVRPKMKN-UHFFFAOYSA-N
MW144.17 g/mol
LogP-1.28
Rot. Bonds1

About methyl piperazine-2-carboxylate

methyl piperazine-2-carboxylate (PubChem CID 2760426) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is methyl piperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl piperazine-2-carboxylate
PubChem CID2760426
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Namemethyl piperazine-2-carboxylate
SMILESCOC(=O)C1CNCCN1
InChIInChI=1S/C6H12N2O2/c1-10-6(9)5-4-7-2-3-8-5/h5,7-8H,2-4H2,1H3
InChIKeyODQZNBWVRPKMKN-UHFFFAOYSA-N
XLogP-1.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Piperazine-2-carboxylic acid
CID 2723758
Methyl Piperazine-2-carboxylate Dihydrochloride
CID 2760425
(R)-Piperazine-2-carboxylic acid
CID 6558437
4-Ethylpiperazine-2-carboxylic acid
CID 17919893
(R)-Piperazine-2-carboxylic acid hydrochloride
CID 49864520
(S)-Piperazine-2-carboxylic acid hydrochloride
CID 49864521
1-Ethylpiperazine-2-carboxylic acid
CID 52911181
Ethyl 2-(piperazin-1-yl)propanoate
CID 2736463
Ethyl 1-(propan-2-yl)piperazine-2-carboxylate
CID 10559962
(S)-methyl 6-oxopiperazine-2-carboxylate
CID 45082265
Methyl 3-oxopiperazine-2-carboxylate
CID 45099483
Methyl 2-(piperazin-1-yl)butanoate
CID 61002490

Frequently Asked Questions

What is the IUPAC name of methyl piperazine-2-carboxylate?
The IUPAC name of methyl piperazine-2-carboxylate (CID 2760426) is methyl piperazine-2-carboxylate.
What is the SMILES notation for methyl piperazine-2-carboxylate?
The canonical SMILES for methyl piperazine-2-carboxylate is COC(=O)C1CNCCN1.
What is the InChIKey of methyl piperazine-2-carboxylate?
The InChIKey is ODQZNBWVRPKMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-10-6(9)5-4-7-2-3-8-5/h5,7-8H,2-4H2,1H3.
What are the key properties of methyl piperazine-2-carboxylate?
methyl piperazine-2-carboxylate has a molecular weight of 144.17 g/mol, XLogP of -1.28, 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 is sourced from PubChem (CID 2760426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).