2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone

C12H14Cl2N2O — CID 14964763

IUPAC2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)N1CCNCC1
InChIInChI=1S/C12H14Cl2N2O/c13-10-2-1-9(11(14)8-10)7-12(17)16-5-3-15-4-6-16/h1-2,8,15H,3-7H2
InChIKeySPPZOMGHIAAIFD-UHFFFAOYSA-N
MW273.16 g/mol
LogP1.97
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone

2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone (PubChem CID 14964763) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone
PubChem CID14964763
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)N1CCNCC1
InChIInChI=1S/C12H14Cl2N2O/c13-10-2-1-9(11(14)8-10)7-12(17)16-5-3-15-4-6-16/h1-2,8,15H,3-7H2
InChIKeySPPZOMGHIAAIFD-UHFFFAOYSA-N
XLogP1.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one
CID 82134878
2-(4-chloro-2-methylphenyl)-1-piperazin-1-ylethanone
CID 82511847
2-(2,4-dichlorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 54878843
2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 43390857
2-[4-[2-(2,4-dichlorophenyl)acetyl]piperazin-1-yl]acetic acid
CID 43521392
(2,4-dichlorophenyl)methyl piperazine-1-carboxylate;hydrochloride
CID 69143909
2-(2,4-dichlorophenyl)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 120823045
2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 2437970
2-(2,5-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119401623
2-(2,4-dichlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43403173
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone;hydrochloride
CID 119516648
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 119621558

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone (CID 14964763) is 2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone is O=C(Cc1ccc(Cl)cc1Cl)N1CCNCC1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone?
The InChIKey is SPPZOMGHIAAIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c13-10-2-1-9(11(14)8-10)7-12(17)16-5-3-15-4-6-16/h1-2,8,15H,3-7H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone?
2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone has a molecular weight of 273.16 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 14964763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).