2-piperazin-1-ylacetic acid;hydrate

C6H14N2O3 — CID 2760429

IUPAC2-piperazin-1-ylacetic acid;hydrate
SMILESO.O=C(O)CN1CCNCC1
InChIInChI=1S/C6H12N2O2.H2O/c9-6(10)5-8-3-1-7-2-4-8;/h7H,1-5H2,(H,9,10);1H2
InChIKeyXQZJPHXZNNGXHO-UHFFFAOYSA-N
MW162.19 g/mol
LogP-1.85
Rot. Bonds2

About 2-piperazin-1-ylacetic acid;hydrate

2-piperazin-1-ylacetic acid;hydrate (PubChem CID 2760429) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-piperazin-1-ylacetic acid;hydrate.

Molecular Properties

Compound Name2-piperazin-1-ylacetic acid;hydrate
PubChem CID2760429
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name2-piperazin-1-ylacetic acid;hydrate
SMILESO.O=C(O)CN1CCNCC1
InChIInChI=1S/C6H12N2O2.H2O/c9-6(10)5-8-3-1-7-2-4-8;/h7H,1-5H2,(H,9,10);1H2
InChIKeyXQZJPHXZNNGXHO-UHFFFAOYSA-N
XLogP-1.85
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-1.85
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;hydrate?
The IUPAC name of 2-piperazin-1-ylacetic acid;hydrate (CID 2760429) is 2-piperazin-1-ylacetic acid;hydrate.
What is the SMILES notation for 2-piperazin-1-ylacetic acid;hydrate?
The canonical SMILES for 2-piperazin-1-ylacetic acid;hydrate is O.O=C(O)CN1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylacetic acid;hydrate?
The InChIKey is XQZJPHXZNNGXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.H2O/c9-6(10)5-8-3-1-7-2-4-8;/h7H,1-5H2,(H,9,10);1H2.
What are the key properties of 2-piperazin-1-ylacetic acid;hydrate?
2-piperazin-1-ylacetic acid;hydrate has a molecular weight of 162.19 g/mol, XLogP of -1.85, 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;hydrate is sourced from PubChem (CID 2760429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).