1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone

C19H20Cl2N2O — CID 143237547

IUPAC1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(C)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H20Cl2N2O/c1-13-3-8-18(17(21)11-13)23-10-9-22(14(2)24)12-19(23)15-4-6-16(20)7-5-15/h3-8,11,19H,9-10,12H2,1-2H3
InChIKeyRUOJCZGFRAJYBE-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.71
Rot. Bonds2

About 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone

1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone (PubChem CID 143237547) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone
PubChem CID143237547
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(C)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H20Cl2N2O/c1-13-3-8-18(17(21)11-13)23-10-9-22(14(2)24)12-19(23)15-4-6-16(20)7-5-15/h3-8,11,19H,9-10,12H2,1-2H3
InChIKeyRUOJCZGFRAJYBE-UHFFFAOYSA-N
XLogP4.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 143237963
1-[4-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 11496417
1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 88860137
1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[(2,4-dichlorophenyl)methyl]piperazine
CID 143237516
2-amino-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-3-methylbut-3-en-1-one
CID 163978720
2-amino-1-[(3R)-3-(4-chlorophenyl)-4-(2-ethyl-4-methylphenyl)piperazin-1-yl]ethanone
CID 163854147
(2S)-2-amino-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]butan-1-one
CID 143237811
1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 59261899
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 59261926
(2S)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 59261610
4-[1-[4-(2,4-dichlorophenyl)-3-(4-methylphenyl)piperazin-1-yl]ethenyl]-3,5-dimethylphenol
CID 143237805
(2R)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone
CID 59261834

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone (CID 143237547) is 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(C)cc2Cl)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone?
The InChIKey is RUOJCZGFRAJYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c1-13-3-8-18(17(21)11-13)23-10-9-22(14(2)24)12-19(23)15-4-6-16(20)7-5-15/h3-8,11,19H,9-10,12H2,1-2H3.
What are the key properties of 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone?
1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone has a molecular weight of 363.29 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 143237547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).