3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one

C13H16Cl2N2O — CID 82134878

IUPAC3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCc1ccc(Cl)cc1Cl)N1CCNCC1
InChIInChI=1S/C13H16Cl2N2O/c14-11-3-1-10(12(15)9-11)2-4-13(18)17-7-5-16-6-8-17/h1,3,9,16H,2,4-8H2
InChIKeyFZEZSCVVJPHHNF-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.36
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one

3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one (PubChem CID 82134878) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one
PubChem CID82134878
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCc1ccc(Cl)cc1Cl)N1CCNCC1
InChIInChI=1S/C13H16Cl2N2O/c14-11-3-1-10(12(15)9-11)2-4-13(18)17-7-5-16-6-8-17/h1,3,9,16H,2,4-8H2
InChIKeyFZEZSCVVJPHHNF-UHFFFAOYSA-N
XLogP2.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone
CID 14964763
3-(2,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 68791115
3-(2-chloro-4,5-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
CID 83931483
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one
CID 90872728
2-(4-chloro-2-methylphenyl)-1-piperazin-1-ylethanone
CID 82511847
N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46485063
3-(2,4-dichlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647602
4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one
CID 83924216
(2,4-dichlorophenyl)methyl piperazine-1-carboxylate;hydrochloride
CID 69143909
3-(2,4-dichlorophenyl)-1-[(3R,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]propan-1-one
CID 97076736
3-(2,4-dichlorophenyl)-1-(3-methylsulfonylpyrrolidin-1-yl)propan-1-one
CID 90586900
4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933257

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one (CID 82134878) is 3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one is O=C(CCc1ccc(Cl)cc1Cl)N1CCNCC1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is FZEZSCVVJPHHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c14-11-3-1-10(12(15)9-11)2-4-13(18)17-7-5-16-6-8-17/h1,3,9,16H,2,4-8H2.
What are the key properties of 3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one?
3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 287.19 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82134878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).