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

C20H24N2O — CID 113075441

IUPAC1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-phenylethanone
SMILESCc1ccc(C)c(N2CCN(C(=O)Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H24N2O/c1-16-8-9-17(2)19(14-16)21-10-12-22(13-11-21)20(23)15-18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3
InChIKeyGDKBLYRIPZGPOL-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.19
Rot. Bonds3

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

1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-phenylethanone (PubChem CID 113075441) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-phenylethanone
PubChem CID113075441
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-phenylethanone
SMILESCc1ccc(C)c(N2CCN(C(=O)Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H24N2O/c1-16-8-9-17(2)19(14-16)21-10-12-22(13-11-21)20(23)15-18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3
InChIKeyGDKBLYRIPZGPOL-UHFFFAOYSA-N
XLogP3.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 113075462
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 71173381
2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 92681315
1-[4-(2-methylphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 112766387
2-(3-hydroxy-4-methylphenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 146087246
2-(2,4-dimethylphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 7595587
2-(4-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 8910906
2-(3-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 9153668
methyl 2-[4-(2-phenylacetyl)piperazin-1-yl]benzoate
CID 113078376
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanone
CID 4206419
methyl 2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]benzoate
CID 113078399
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 92672754

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-phenylethanone (CID 113075441) is 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-phenylethanone is Cc1ccc(C)c(N2CCN(C(=O)Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is GDKBLYRIPZGPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-16-8-9-17(2)19(14-16)21-10-12-22(13-11-21)20(23)15-18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-phenylethanone?
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-phenylethanone has a molecular weight of 308.43 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 113075441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).