1-piperazin-1-ylpiperazine-2-carboxylic acid

C9H18N4O2 — CID 175298820

IUPAC1-piperazin-1-ylpiperazine-2-carboxylic acid
SMILESO=C(O)C1CNCCN1N1CCNCC1
InChIInChI=1S/C9H18N4O2/c14-9(15)8-7-11-3-6-13(8)12-4-1-10-2-5-12/h8,10-11H,1-7H2,(H,14,15)
InChIKeyPGJVXDLCVOSMJA-UHFFFAOYSA-N
MW214.27 g/mol
LogP-1.84
Rot. Bonds2

About 1-piperazin-1-ylpiperazine-2-carboxylic acid

1-piperazin-1-ylpiperazine-2-carboxylic acid (PubChem CID 175298820) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-piperazin-1-ylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-piperazin-1-ylpiperazine-2-carboxylic acid
PubChem CID175298820
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name1-piperazin-1-ylpiperazine-2-carboxylic acid
SMILESO=C(O)C1CNCCN1N1CCNCC1
InChIInChI=1S/C9H18N4O2/c14-9(15)8-7-11-3-6-13(8)12-4-1-10-2-5-12/h8,10-11H,1-7H2,(H,14,15)
InChIKeyPGJVXDLCVOSMJA-UHFFFAOYSA-N
XLogP-1.84
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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1-cyclohex-2-en-1-ylpiperazine-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylpiperazine-2-carboxylic acid?
The IUPAC name of 1-piperazin-1-ylpiperazine-2-carboxylic acid (CID 175298820) is 1-piperazin-1-ylpiperazine-2-carboxylic acid.
What is the SMILES notation for 1-piperazin-1-ylpiperazine-2-carboxylic acid?
The canonical SMILES for 1-piperazin-1-ylpiperazine-2-carboxylic acid is O=C(O)C1CNCCN1N1CCNCC1.
What is the InChIKey of 1-piperazin-1-ylpiperazine-2-carboxylic acid?
The InChIKey is PGJVXDLCVOSMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c14-9(15)8-7-11-3-6-13(8)12-4-1-10-2-5-12/h8,10-11H,1-7H2,(H,14,15).
What are the key properties of 1-piperazin-1-ylpiperazine-2-carboxylic acid?
1-piperazin-1-ylpiperazine-2-carboxylic acid has a molecular weight of 214.27 g/mol, XLogP of -1.84, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylpiperazine-2-carboxylic acid is sourced from PubChem (CID 175298820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).