1-piperazin-1-ylbutan-1-one

C8H16N2O — CID 10749434

IUPAC1-piperazin-1-ylbutan-1-one
SMILESCCCC(=O)N1CCNCC1
InChIInChI=1S/C8H16N2O/c1-2-3-8(11)10-6-4-9-5-7-10/h9H,2-7H2,1H3
InChIKeyOGQQJMSDOICEAR-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.22
Rot. Bonds2

About 1-piperazin-1-ylbutan-1-one

1-piperazin-1-ylbutan-1-one (PubChem CID 10749434) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name1-piperazin-1-ylbutan-1-one
PubChem CID10749434
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-piperazin-1-ylbutan-1-one
SMILESCCCC(=O)N1CCNCC1
InChIInChI=1S/C8H16N2O/c1-2-3-8(11)10-6-4-9-5-7-10/h9H,2-7H2,1H3
InChIKeyOGQQJMSDOICEAR-UHFFFAOYSA-N
XLogP0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-piperazin-1-ylbutan-1-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 1-piperazin-1-ylbutan-1-one?
The IUPAC name of 1-piperazin-1-ylbutan-1-one (CID 10749434) is 1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 1-piperazin-1-ylbutan-1-one?
The canonical SMILES for 1-piperazin-1-ylbutan-1-one is CCCC(=O)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-ylbutan-1-one?
The InChIKey is OGQQJMSDOICEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-3-8(11)10-6-4-9-5-7-10/h9H,2-7H2,1H3.
What are the key properties of 1-piperazin-1-ylbutan-1-one?
1-piperazin-1-ylbutan-1-one has a molecular weight of 156.23 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 10749434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).