2-methylpiperazine;oxalic acid

C7H14N2O4 — CID 67824953

IUPAC2-methylpiperazine;oxalic acid
SMILESCC1CNCCN1.O=C(O)C(=O)O
InChIInChI=1S/C5H12N2.C2H2O4/c1-5-4-6-2-3-7-5;3-1(4)2(5)6/h5-7H,2-4H2,1H3;(H,3,4)(H,5,6)
InChIKeyDPCRVRHGIXNCJL-UHFFFAOYSA-N
MW190.20 g/mol
LogP-1.28
Rot. Bonds

About 2-methylpiperazine;oxalic acid

2-methylpiperazine;oxalic acid (PubChem CID 67824953) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-methylpiperazine;oxalic acid.

Molecular Properties

Compound Name2-methylpiperazine;oxalic acid
PubChem CID67824953
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name2-methylpiperazine;oxalic acid
SMILESCC1CNCCN1.O=C(O)C(=O)O
InChIInChI=1S/C5H12N2.C2H2O4/c1-5-4-6-2-3-7-5;3-1(4)2(5)6/h5-7H,2-4H2,1H3;(H,3,4)(H,5,6)
InChIKeyDPCRVRHGIXNCJL-UHFFFAOYSA-N
XLogP-1.28
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpiperazine;oxalic acid?
The IUPAC name of 2-methylpiperazine;oxalic acid (CID 67824953) is 2-methylpiperazine;oxalic acid.
What is the SMILES notation for 2-methylpiperazine;oxalic acid?
The canonical SMILES for 2-methylpiperazine;oxalic acid is CC1CNCCN1.O=C(O)C(=O)O.
What is the InChIKey of 2-methylpiperazine;oxalic acid?
The InChIKey is DPCRVRHGIXNCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.C2H2O4/c1-5-4-6-2-3-7-5;3-1(4)2(5)6/h5-7H,2-4H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 2-methylpiperazine;oxalic acid?
2-methylpiperazine;oxalic acid has a molecular weight of 190.20 g/mol, XLogP of -1.28, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpiperazine;oxalic acid is sourced from PubChem (CID 67824953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).