piperazine-1,4-dicarboxylic acid

C6H10N2O4 — CID 15646800

IUPACpiperazine-1,4-dicarboxylic acid
SMILESO=C(O)N1CCN(C(=O)O)CC1
InChIInChI=1S/C6H10N2O4/c9-5(10)7-1-2-8(4-3-7)6(11)12/h1-4H2,(H,9,10)(H,11,12)
InChIKeyRIXVESSVKLKKFV-UHFFFAOYSA-N
MW174.16 g/mol
LogP-0.04
Rot. Bonds

About piperazine-1,4-dicarboxylic acid

piperazine-1,4-dicarboxylic acid (PubChem CID 15646800) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is piperazine-1,4-dicarboxylic acid.

Molecular Properties

Compound Namepiperazine-1,4-dicarboxylic acid
PubChem CID15646800
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Namepiperazine-1,4-dicarboxylic acid
SMILESO=C(O)N1CCN(C(=O)O)CC1
InChIInChI=1S/C6H10N2O4/c9-5(10)7-1-2-8(4-3-7)6(11)12/h1-4H2,(H,9,10)(H,11,12)
InChIKeyRIXVESSVKLKKFV-UHFFFAOYSA-N
XLogP-0.04
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperazine-1,4-dicarboxylic acid?
The IUPAC name of piperazine-1,4-dicarboxylic acid (CID 15646800) is piperazine-1,4-dicarboxylic acid.
What is the SMILES notation for piperazine-1,4-dicarboxylic acid?
The canonical SMILES for piperazine-1,4-dicarboxylic acid is O=C(O)N1CCN(C(=O)O)CC1.
What is the InChIKey of piperazine-1,4-dicarboxylic acid?
The InChIKey is RIXVESSVKLKKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4/c9-5(10)7-1-2-8(4-3-7)6(11)12/h1-4H2,(H,9,10)(H,11,12).
What are the key properties of piperazine-1,4-dicarboxylic acid?
piperazine-1,4-dicarboxylic acid has a molecular weight of 174.16 g/mol, XLogP of -0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-1,4-dicarboxylic acid is sourced from PubChem (CID 15646800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).