2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

C20H23FN2O — CID 92681315

IUPAC2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESCc1ccc(C)c(CC(=O)N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C20H23FN2O/c1-15-7-8-16(2)17(13-15)14-20(24)23-11-9-22(10-12-23)19-6-4-3-5-18(19)21/h3-8,13H,9-12,14H2,1-2H3
InChIKeyDGLRXYMKSKYGCM-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.33
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 92681315) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID92681315
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESCc1ccc(C)c(CC(=O)N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C20H23FN2O/c1-15-7-8-16(2)17(13-15)14-20(24)23-11-9-22(10-12-23)19-6-4-3-5-18(19)21/h3-8,13H,9-12,14H2,1-2H3
InChIKeyDGLRXYMKSKYGCM-UHFFFAOYSA-N
XLogP3.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone
CID 18872277
N-(2,5-dimethylphenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113124351
2-(4-chloro-2-fluorophenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 100751498
(2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 925290
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N,2,5-trimethylbenzenesulfonamide
CID 100781113
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(2-methylphenyl)methylamino]propan-1-one
CID 109019284
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 20969017
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-phenylethanone
CID 113075441
N-(2,5-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902723
2-(2,5-dimethylphenyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone
CID 110802397
2-(3,5-dimethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004433
1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-2-(2,5-dimethylphenyl)ethanone
CID 110815318

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (CID 92681315) is 2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is Cc1ccc(C)c(CC(=O)N2CCN(c3ccccc3F)CC2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is DGLRXYMKSKYGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-15-7-8-16(2)17(13-15)14-20(24)23-11-9-22(10-12-23)19-6-4-3-5-18(19)21/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 326.42 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 92681315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).