1-(2,4-dichlorophenyl)-2-piperazin-1-ylbutan-1-one

C14H18Cl2N2O — CID 82136391

IUPAC1-(2,4-dichlorophenyl)-2-piperazin-1-ylbutan-1-one
SMILESCCC(C(=O)c1ccc(Cl)cc1Cl)N1CCNCC1
InChIInChI=1S/C14H18Cl2N2O/c1-2-13(18-7-5-17-6-8-18)14(19)11-4-3-10(15)9-12(11)16/h3-4,9,13,17H,2,5-8H2,1H3
InChIKeyLIERUTSKJMKCSA-UHFFFAOYSA-N
MW301.22 g/mol
LogP2.86
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-2-piperazin-1-ylbutan-1-one

1-(2,4-dichlorophenyl)-2-piperazin-1-ylbutan-1-one (PubChem CID 82136391) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-piperazin-1-ylbutan-1-one
PubChem CID82136391
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name1-(2,4-dichlorophenyl)-2-piperazin-1-ylbutan-1-one
SMILESCCC(C(=O)c1ccc(Cl)cc1Cl)N1CCNCC1
InChIInChI=1S/C14H18Cl2N2O/c1-2-13(18-7-5-17-6-8-18)14(19)11-4-3-10(15)9-12(11)16/h3-4,9,13,17H,2,5-8H2,1H3
InChIKeyLIERUTSKJMKCSA-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-2-ethylsulfinylpropan-1-one
CID 64639669
(2R)-2-piperazin-1-ylbutanoic acid
CID 7200835
2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)butan-1-one
CID 82136425
1-(2,4-dichlorophenyl)-2-(hydroxymethyl)butan-1-one
CID 116923109
1-[(1S)-1-(2,4-dichlorophenyl)butyl]piperazine;dihydrochloride
CID 171281865
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 108569544
1-[1-(2,4-dichlorophenyl)pentyl]piperazine
CID 5226884
3-piperazin-1-ylpentan-2-one
CID 68969032
1-(2,3-dihydro-1H-indol-5-yl)-2-piperazin-1-ylbutan-1-one
CID 82256389
1-[1-(2,4-dichlorophenyl)propan-2-yl]piperazine
CID 82255584
1-[(1S)-1-(5-chloro-2-fluorophenyl)propyl]piperazine
CID 96677014
1-[(1R)-1-(5-chloro-2-fluorophenyl)propyl]piperazine
CID 96677015

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-piperazin-1-ylbutan-1-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-piperazin-1-ylbutan-1-one (CID 82136391) is 1-(2,4-dichlorophenyl)-2-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-piperazin-1-ylbutan-1-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-piperazin-1-ylbutan-1-one is CCC(C(=O)c1ccc(Cl)cc1Cl)N1CCNCC1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-piperazin-1-ylbutan-1-one?
The InChIKey is LIERUTSKJMKCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-2-13(18-7-5-17-6-8-18)14(19)11-4-3-10(15)9-12(11)16/h3-4,9,13,17H,2,5-8H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-piperazin-1-ylbutan-1-one?
1-(2,4-dichlorophenyl)-2-piperazin-1-ylbutan-1-one has a molecular weight of 301.22 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 82136391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).