3-(2-chloro-4,5-dimethylphenyl)-1-piperazin-1-ylpropan-1-one

C15H21ClN2O — CID 83931483

IUPAC3-(2-chloro-4,5-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
SMILESCc1cc(Cl)c(CCC(=O)N2CCNCC2)cc1C
InChIInChI=1S/C15H21ClN2O/c1-11-9-13(14(16)10-12(11)2)3-4-15(19)18-7-5-17-6-8-18/h9-10,17H,3-8H2,1-2H3
InChIKeyUKOQYXYOEJDOHN-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.32
Rot. Bonds3

About 3-(2-chloro-4,5-dimethylphenyl)-1-piperazin-1-ylpropan-1-one

3-(2-chloro-4,5-dimethylphenyl)-1-piperazin-1-ylpropan-1-one (PubChem CID 83931483) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 3-(2-chloro-4,5-dimethylphenyl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-chloro-4,5-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
PubChem CID83931483
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name3-(2-chloro-4,5-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
SMILESCc1cc(Cl)c(CCC(=O)N2CCNCC2)cc1C
InChIInChI=1S/C15H21ClN2O/c1-11-9-13(14(16)10-12(11)2)3-4-15(19)18-7-5-17-6-8-18/h9-10,17H,3-8H2,1-2H3
InChIKeyUKOQYXYOEJDOHN-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chloro-4,5-dimethylphenyl)-1-piperazin-1-ylbutan-1-one
CID 83931484
3-(2-chloro-4,5-dimethoxyphenyl)-1-(1,4-diazepan-1-yl)propan-1-one
CID 83943607
3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one
CID 82134878
3-(4-chloro-2,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 82648208
3-(5-chloro-4-methyl-2-propoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 83937750
2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone
CID 82511840
2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone
CID 14964763
3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
CID 110833337
2-(4-chloro-2-methylphenyl)-1-piperazin-1-ylethanone
CID 82511847
3-(4-methoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
CID 83940086
3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one
CID 82133342
3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane
CID 143559381

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4,5-dimethylphenyl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(2-chloro-4,5-dimethylphenyl)-1-piperazin-1-ylpropan-1-one (CID 83931483) is 3-(2-chloro-4,5-dimethylphenyl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2-chloro-4,5-dimethylphenyl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(2-chloro-4,5-dimethylphenyl)-1-piperazin-1-ylpropan-1-one is Cc1cc(Cl)c(CCC(=O)N2CCNCC2)cc1C.
What is the InChIKey of 3-(2-chloro-4,5-dimethylphenyl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is UKOQYXYOEJDOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11-9-13(14(16)10-12(11)2)3-4-15(19)18-7-5-17-6-8-18/h9-10,17H,3-8H2,1-2H3.
What are the key properties of 3-(2-chloro-4,5-dimethylphenyl)-1-piperazin-1-ylpropan-1-one?
3-(2-chloro-4,5-dimethylphenyl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 280.80 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4,5-dimethylphenyl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 83931483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).