2-piperazin-1-ylacetic acid

C6H12N2O2 — CID 650402

IUPAC2-piperazin-1-ylacetic acid
SMILESO=C(O)CN1CCNCC1
InChIInChI=1S/C6H12N2O2/c9-6(10)5-8-3-1-7-2-4-8/h7H,1-5H2,(H,9,10)
InChIKeyWRJZKSHNBALIGH-UHFFFAOYSA-N
MW144.17 g/mol
LogP-1.02
Rot. Bonds2

About 2-piperazin-1-ylacetic acid

2-piperazin-1-ylacetic acid (PubChem CID 650402) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-piperazin-1-ylacetic acid.

Molecular Properties

Compound Name2-piperazin-1-ylacetic acid
PubChem CID650402
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name2-piperazin-1-ylacetic acid
SMILESO=C(O)CN1CCNCC1
InChIInChI=1S/C6H12N2O2/c9-6(10)5-8-3-1-7-2-4-8/h7H,1-5H2,(H,9,10)
InChIKeyWRJZKSHNBALIGH-UHFFFAOYSA-N
XLogP-1.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylacetic acid?
The IUPAC name of 2-piperazin-1-ylacetic acid (CID 650402) is 2-piperazin-1-ylacetic acid.
What is the SMILES notation for 2-piperazin-1-ylacetic acid?
The canonical SMILES for 2-piperazin-1-ylacetic acid is O=C(O)CN1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylacetic acid?
The InChIKey is WRJZKSHNBALIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c9-6(10)5-8-3-1-7-2-4-8/h7H,1-5H2,(H,9,10).
What are the key properties of 2-piperazin-1-ylacetic acid?
2-piperazin-1-ylacetic acid has a molecular weight of 144.17 g/mol, XLogP of -1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylacetic acid is sourced from PubChem (CID 650402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).