(E)-3-(2,4-dichlorophenyl)-1-piperazin-1-ylprop-2-en-1-one

C13H14Cl2N2O — CID 39286283

IUPAC(E)-3-(2,4-dichlorophenyl)-1-piperazin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)N1CCNCC1
InChIInChI=1S/C13H14Cl2N2O/c14-11-3-1-10(12(15)9-11)2-4-13(18)17-7-5-16-6-8-17/h1-4,9,16H,5-8H2/b4-2+
InChIKeyUZBXNEJEFJFXDV-DUXPYHPUSA-N
MW285.17 g/mol
LogP2.44
Rot. Bonds2

About (E)-3-(2,4-dichlorophenyl)-1-piperazin-1-ylprop-2-en-1-one

(E)-3-(2,4-dichlorophenyl)-1-piperazin-1-ylprop-2-en-1-one (PubChem CID 39286283) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-1-piperazin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-1-piperazin-1-ylprop-2-en-1-one
PubChem CID39286283
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC Name(E)-3-(2,4-dichlorophenyl)-1-piperazin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)N1CCNCC1
InChIInChI=1S/C13H14Cl2N2O/c14-11-3-1-10(12(15)9-11)2-4-13(18)17-7-5-16-6-8-17/h1-4,9,16H,5-8H2/b4-2+
InChIKeyUZBXNEJEFJFXDV-DUXPYHPUSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2,4-dichlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one
CID 39161596
3-(3-chlorophenyl)-1-piperazin-1-ylprop-2-en-1-one
CID 54135862
(E)-3-(2,4-dimethylphenyl)-1-piperazin-1-ylprop-2-en-1-one
CID 112708519
(E)-3-(2,4-dichlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 7974847
3-(2,4-dichlorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 4827545
(E)-3-(2,4-dichlorophenyl)-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one
CID 108755343
(E)-3-(2,4-dichlorophenyl)-1-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]prop-2-en-1-one
CID 8857598
3-(2,4-dichlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 79029068
1-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 118679067
(E)-3-(2,4-dichlorophenyl)-1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 41310449
(E)-1,4-di(piperazin-1-yl)but-2-ene-1,4-dione
CID 141152573
(E)-3-(3-aminophenyl)-1-piperazin-1-ylprop-2-en-1-one
CID 115342869

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)-1-piperazin-1-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-1-piperazin-1-ylprop-2-en-1-one (CID 39286283) is (E)-3-(2,4-dichlorophenyl)-1-piperazin-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-1-piperazin-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-1-piperazin-1-ylprop-2-en-1-one is O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCNCC1.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-1-piperazin-1-ylprop-2-en-1-one?
The InChIKey is UZBXNEJEFJFXDV-DUXPYHPUSA-N. The full InChI is InChI=1S/C13H14Cl2N2O/c14-11-3-1-10(12(15)9-11)2-4-13(18)17-7-5-16-6-8-17/h1-4,9,16H,5-8H2/b4-2+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-1-piperazin-1-ylprop-2-en-1-one?
(E)-3-(2,4-dichlorophenyl)-1-piperazin-1-ylprop-2-en-1-one has a molecular weight of 285.17 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-1-piperazin-1-ylprop-2-en-1-one is sourced from PubChem (CID 39286283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).