piperazin-1-yl acetate

C6H12N2O2 — CID 54492305

IUPACpiperazin-1-yl acetate
SMILESCC(=O)ON1CCNCC1
InChIInChI=1S/C6H12N2O2/c1-6(9)10-8-4-2-7-3-5-8/h7H,2-5H2,1H3
InChIKeyNHVRYOFWXIIQKV-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.63
Rot. Bonds1

About piperazin-1-yl acetate

piperazin-1-yl acetate (PubChem CID 54492305) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is piperazin-1-yl acetate.

Molecular Properties

Compound Namepiperazin-1-yl acetate
PubChem CID54492305
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Namepiperazin-1-yl acetate
SMILESCC(=O)ON1CCNCC1
InChIInChI=1S/C6H12N2O2/c1-6(9)10-8-4-2-7-3-5-8/h7H,2-5H2,1H3
InChIKeyNHVRYOFWXIIQKV-UHFFFAOYSA-N
XLogP-0.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze piperazin-1-yl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl acetate?
The IUPAC name of piperazin-1-yl acetate (CID 54492305) is piperazin-1-yl acetate.
What is the SMILES notation for piperazin-1-yl acetate?
The canonical SMILES for piperazin-1-yl acetate is CC(=O)ON1CCNCC1.
What is the InChIKey of piperazin-1-yl acetate?
The InChIKey is NHVRYOFWXIIQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-6(9)10-8-4-2-7-3-5-8/h7H,2-5H2,1H3.
What are the key properties of piperazin-1-yl acetate?
piperazin-1-yl acetate has a molecular weight of 144.17 g/mol, XLogP of -0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl acetate is sourced from PubChem (CID 54492305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).