1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one

C13H17ClN2O — CID 60649957

IUPAC1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
SMILESCC(=O)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C13H17ClN2O/c1-11(17)10-15-5-7-16(8-6-15)13-4-2-3-12(14)9-13/h2-4,9H,5-8,10H2,1H3
InChIKeyIDNCPFVGYNXBRP-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.05
Rot. Bonds3

About 1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one

1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one (PubChem CID 60649957) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
PubChem CID60649957
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
SMILESCC(=O)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C13H17ClN2O/c1-11(17)10-15-5-7-16(8-6-15)13-4-2-3-12(14)9-13/h2-4,9H,5-8,10H2,1H3
InChIKeyIDNCPFVGYNXBRP-UHFFFAOYSA-N
XLogP2.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 78787390
N-(4-acetamidophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 2685330
2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
CID 12578869
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 4818731
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 8529745
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 39357220
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(furan-2-yl)ethanone
CID 62050562
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 78782366
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8530050
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 4238150

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one (CID 60649957) is 1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one is CC(=O)CN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one?
The InChIKey is IDNCPFVGYNXBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-11(17)10-15-5-7-16(8-6-15)13-4-2-3-12(14)9-13/h2-4,9H,5-8,10H2,1H3.
What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one?
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one has a molecular weight of 252.75 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one is sourced from PubChem (CID 60649957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).