2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone

C18H18Cl2N2O2 — CID 2437970

IUPAC2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C18H18Cl2N2O2/c19-14-6-5-13(15(20)12-14)11-18(24)22-9-7-21(8-10-22)16-3-1-2-4-17(16)23/h1-6,12,23H,7-11H2
InChIKeyKUXLLKISTMBQKQ-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.59
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone

2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone (PubChem CID 2437970) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
PubChem CID2437970
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C18H18Cl2N2O2/c19-14-6-5-13(15(20)12-14)11-18(24)22-9-7-21(8-10-22)16-3-1-2-4-17(16)23/h1-6,12,23H,7-11H2
InChIKeyKUXLLKISTMBQKQ-UHFFFAOYSA-N
XLogP3.59
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-fluorophenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 100751498
2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone
CID 14964763
3-(3-chlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 134031560
3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54868649
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
3-(2,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 68791115
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 9013636
N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4987887
2-(2,4-dichlorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 54878843
2-(3-hydroxy-4-methylphenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 146087246
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one
CID 90872728

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone (CID 2437970) is 2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone is O=C(Cc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is KUXLLKISTMBQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c19-14-6-5-13(15(20)12-14)11-18(24)22-9-7-21(8-10-22)16-3-1-2-4-17(16)23/h1-6,12,23H,7-11H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone?
2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 365.26 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 2437970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).