4-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1-piperazin-1-ylbutan-1-one

C18H28N2O2 — CID 83927800

IUPAC4-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
SMILESCOc1cc(C)c(CC(C)CC(=O)N2CCNCC2)cc1C
InChIInChI=1S/C18H28N2O2/c1-13(10-18(21)20-7-5-19-6-8-20)9-16-11-15(3)17(22-4)12-14(16)2/h11-13,19H,5-10H2,1-4H3
InChIKeyOYEGCJZPWSDGBE-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.31
Rot. Bonds5

About 4-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1-piperazin-1-ylbutan-1-one

4-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1-piperazin-1-ylbutan-1-one (PubChem CID 83927800) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 4-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
PubChem CID83927800
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name4-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
SMILESCOc1cc(C)c(CC(C)CC(=O)N2CCNCC2)cc1C
InChIInChI=1S/C18H28N2O2/c1-13(10-18(21)20-7-5-19-6-8-20)9-16-11-15(3)17(22-4)12-14(16)2/h11-13,19H,5-10H2,1-4H3
InChIKeyOYEGCJZPWSDGBE-UHFFFAOYSA-N
XLogP2.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-methoxy-2,5-dimethylphenyl)propan-2-yl]piperazine
CID 82302982
4-(5-tert-butyl-2-methylphenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 83935353
3-methyl-4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933523
2-(4-ethoxy-2,5-dimethylphenyl)-1-piperazin-1-ylethanone
CID 82134628
3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120980490
(4-methoxy-2,5-dimethylphenyl)-piperazin-1-ylmethanone
CID 82131195
1-[1-(2-methoxy-4,5-dimethylphenyl)propan-2-yl]piperazine
CID 82302972
2-(4-methoxy-2,5-dimethylphenyl)-1-morpholin-4-ylethanone
CID 110767973
4-(5-ethylthiophen-2-yl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 83929402
3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one
CID 82133342
2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone
CID 141462350
4-(4-chlorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 83931157

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1-piperazin-1-ylbutan-1-one?
The IUPAC name of 4-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1-piperazin-1-ylbutan-1-one (CID 83927800) is 4-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 4-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1-piperazin-1-ylbutan-1-one?
The canonical SMILES for 4-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1-piperazin-1-ylbutan-1-one is COc1cc(C)c(CC(C)CC(=O)N2CCNCC2)cc1C.
What is the InChIKey of 4-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1-piperazin-1-ylbutan-1-one?
The InChIKey is OYEGCJZPWSDGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(10-18(21)20-7-5-19-6-8-20)9-16-11-15(3)17(22-4)12-14(16)2/h11-13,19H,5-10H2,1-4H3.
What are the key properties of 4-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1-piperazin-1-ylbutan-1-one?
4-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1-piperazin-1-ylbutan-1-one has a molecular weight of 304.43 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 83927800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).