piperazine;propan-2-one

C7H16N2O — CID 19362351

IUPACpiperazine;propan-2-one
SMILESC1CNCCN1.CC(C)=O
InChIInChI=1S/C4H10N2.C3H6O/c1-2-6-4-3-5-1;1-3(2)4/h5-6H,1-4H2;1-2H3
InChIKeyKQBVRUCCZWLLHG-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.23
Rot. Bonds

About piperazine;propan-2-one

piperazine;propan-2-one (PubChem CID 19362351) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is piperazine;propan-2-one.

Molecular Properties

Compound Namepiperazine;propan-2-one
PubChem CID19362351
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Namepiperazine;propan-2-one
SMILESC1CNCCN1.CC(C)=O
InChIInChI=1S/C4H10N2.C3H6O/c1-2-6-4-3-5-1;1-3(2)4/h5-6H,1-4H2;1-2H3
InChIKeyKQBVRUCCZWLLHG-UHFFFAOYSA-N
XLogP-0.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze piperazine;propan-2-one 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 piperazine;propan-2-one?
The IUPAC name of piperazine;propan-2-one (CID 19362351) is piperazine;propan-2-one.
What is the SMILES notation for piperazine;propan-2-one?
The canonical SMILES for piperazine;propan-2-one is C1CNCCN1.CC(C)=O.
What is the InChIKey of piperazine;propan-2-one?
The InChIKey is KQBVRUCCZWLLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C3H6O/c1-2-6-4-3-5-1;1-3(2)4/h5-6H,1-4H2;1-2H3.
What are the key properties of piperazine;propan-2-one?
piperazine;propan-2-one has a molecular weight of 144.22 g/mol, XLogP of -0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;propan-2-one is sourced from PubChem (CID 19362351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).