2-methyl-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propan-1-one

C17H26N2O — CID 113076267

IUPAC2-methyl-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cc(C)c(N2CCN(C(=O)C(C)C)CC2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-12(2)17(20)19-8-6-18(7-9-19)16-14(4)10-13(3)11-15(16)5/h10-12H,6-9H2,1-5H3
InChIKeyOSAKFKXPVQLJOY-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.92
Rot. Bonds2

About 2-methyl-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propan-1-one

2-methyl-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propan-1-one (PubChem CID 113076267) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-methyl-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propan-1-one
PubChem CID113076267
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-methyl-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cc(C)c(N2CCN(C(=O)C(C)C)CC2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-12(2)17(20)19-8-6-18(7-9-19)16-14(4)10-13(3)11-15(16)5/h10-12H,6-9H2,1-5H3
InChIKeyOSAKFKXPVQLJOY-UHFFFAOYSA-N
XLogP2.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]propan-1-one
CID 110800217
N-propan-2-yl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113076318
methyl 4-(2,4,6-trimethylphenyl)piperazine-1-carboxylate
CID 113076313
2-methyl-1-[4-(2,4,6-trimethylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 110806225
N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113104079
1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 7539819
2-methyl-1-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]propan-1-one
CID 113076400
3-oxo-3-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propanoate
CID 2051651
4-methyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]-1H-pyridin-2-one
CID 176811294
2-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetic acid
CID 4741827
(2-chlorophenyl)-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone
CID 6456860
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 897293

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propan-1-one (CID 113076267) is 2-methyl-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propan-1-one is Cc1cc(C)c(N2CCN(C(=O)C(C)C)CC2)c(C)c1.
What is the InChIKey of 2-methyl-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is OSAKFKXPVQLJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)17(20)19-8-6-18(7-9-19)16-14(4)10-13(3)11-15(16)5/h10-12H,6-9H2,1-5H3.
What are the key properties of 2-methyl-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propan-1-one?
2-methyl-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 113076267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).