1-piperazin-1-ylpropan-1-one;hydrochloride

C7H15ClN2O — CID 13017829

IUPAC1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCCC(=O)N1CCNCC1.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-2-7(10)9-5-3-8-4-6-9;/h8H,2-6H2,1H3;1H
InChIKeyXUUHSYFMUXFAGX-UHFFFAOYSA-N
MW178.66 g/mol
LogP0.25
Rot. Bonds1

About 1-piperazin-1-ylpropan-1-one;hydrochloride

1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 13017829) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is 1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID13017829
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC Name1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCCC(=O)N1CCNCC1.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-2-7(10)9-5-3-8-4-6-9;/h8H,2-6H2,1H3;1H
InChIKeyXUUHSYFMUXFAGX-UHFFFAOYSA-N
XLogP0.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 50.25
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;hydrochloride?
The IUPAC name of 1-piperazin-1-ylpropan-1-one;hydrochloride (CID 13017829) is 1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 1-piperazin-1-ylpropan-1-one;hydrochloride is CCC(=O)N1CCNCC1.Cl.
What is the InChIKey of 1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is XUUHSYFMUXFAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.ClH/c1-2-7(10)9-5-3-8-4-6-9;/h8H,2-6H2,1H3;1H.
What are the key properties of 1-piperazin-1-ylpropan-1-one;hydrochloride?
1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 178.66 g/mol, XLogP of 0.25, 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;hydrochloride is sourced from PubChem (CID 13017829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).