4-(2,5-dimethylphenyl)-1-methylpiperazin-2-one

C13H18N2O — CID 117005173

IUPAC4-(2,5-dimethylphenyl)-1-methylpiperazin-2-one
SMILESCc1ccc(C)c(N2CCN(C)C(=O)C2)c1
InChIInChI=1S/C13H18N2O/c1-10-4-5-11(2)12(8-10)15-7-6-14(3)13(16)9-15/h4-5,8H,6-7,9H2,1-3H3
InChIKeyINTKJWWQEDVMID-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.58
Rot. Bonds1

About 4-(2,5-dimethylphenyl)-1-methylpiperazin-2-one

4-(2,5-dimethylphenyl)-1-methylpiperazin-2-one (PubChem CID 117005173) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-1-methylpiperazin-2-one
PubChem CID117005173
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-(2,5-dimethylphenyl)-1-methylpiperazin-2-one
SMILESCc1ccc(C)c(N2CCN(C)C(=O)C2)c1
InChIInChI=1S/C13H18N2O/c1-10-4-5-11(2)12(8-10)15-7-6-14(3)13(16)9-15/h4-5,8H,6-7,9H2,1-3H3
InChIKeyINTKJWWQEDVMID-UHFFFAOYSA-N
XLogP1.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromo-2-methylphenyl)-1-methylpiperazin-2-one
CID 117005223
4-(2-amino-5-chlorophenyl)-1-methylpiperazin-2-one
CID 115469047
4-(2-amino-4,5-difluorophenyl)-1-methylpiperazin-2-one
CID 112751827
4-(4-acetyl-2-chlorophenyl)-1-methylpiperazin-2-one
CID 64693225
5-amino-2-(4-methyl-3-oxopiperazin-1-yl)benzoic acid
CID 64694563
4-amino-2-(4-methyl-3-oxopiperazin-1-yl)benzoic acid
CID 64694972
4-(3,5-dichlorophenyl)-1-methylpiperazin-2-one
CID 117005230
1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 785540
3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-ol
CID 15572518
ethane;1,4,6-trimethyl-2,3-dihydroquinoxaline
CID 91027227
4-[4-(1-aminoethyl)-2-chlorophenyl]-1-methylpiperazin-2-one
CID 64695306
4-(2-fluoro-5-methylbenzoyl)-1-methylpiperazin-2-one
CID 64680512

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(2,5-dimethylphenyl)-1-methylpiperazin-2-one (CID 117005173) is 4-(2,5-dimethylphenyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(2,5-dimethylphenyl)-1-methylpiperazin-2-one is Cc1ccc(C)c(N2CCN(C)C(=O)C2)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-1-methylpiperazin-2-one?
The InChIKey is INTKJWWQEDVMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-4-5-11(2)12(8-10)15-7-6-14(3)13(16)9-15/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 4-(2,5-dimethylphenyl)-1-methylpiperazin-2-one?
4-(2,5-dimethylphenyl)-1-methylpiperazin-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 117005173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).