1-piperazin-1-ylpropan-1-one

C7H14N2O — CID 3844375

IUPAC1-piperazin-1-ylpropan-1-one
SMILESCCC(=O)N1CCNCC1
InChIInChI=1S/C7H14N2O/c1-2-7(10)9-5-3-8-4-6-9/h8H,2-6H2,1H3
InChIKeyYEQAMPOYHLICPF-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.17
Rot. Bonds1

About 1-piperazin-1-ylpropan-1-one

1-piperazin-1-ylpropan-1-one (PubChem CID 3844375) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-piperazin-1-ylpropan-1-one
PubChem CID3844375
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-piperazin-1-ylpropan-1-one
SMILESCCC(=O)N1CCNCC1
InChIInChI=1S/C7H14N2O/c1-2-7(10)9-5-3-8-4-6-9/h8H,2-6H2,1H3
InChIKeyYEQAMPOYHLICPF-UHFFFAOYSA-N
XLogP-0.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-piperazin-1-ylpropan-1-one (CID 3844375) is 1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-piperazin-1-ylpropan-1-one is CCC(=O)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-ylpropan-1-one?
The InChIKey is YEQAMPOYHLICPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-7(10)9-5-3-8-4-6-9/h8H,2-6H2,1H3.
What are the key properties of 1-piperazin-1-ylpropan-1-one?
1-piperazin-1-ylpropan-1-one has a molecular weight of 142.20 g/mol, XLogP of -0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 3844375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).