1-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one

C18H28N2O2 — CID 82266429

IUPAC1-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
SMILESCCOc1ccc(C(=O)C(C)CN2CCNCC2)c(C)c1C
InChIInChI=1S/C18H28N2O2/c1-5-22-17-7-6-16(14(3)15(17)4)18(21)13(2)12-20-10-8-19-9-11-20/h6-7,13,19H,5,8-12H2,1-4H3
InChIKeyUROWCQDLJIQNLH-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.43
Rot. Bonds6

About 1-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one

1-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one (PubChem CID 82266429) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
PubChem CID82266429
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
SMILESCCOc1ccc(C(=O)C(C)CN2CCNCC2)c(C)c1C
InChIInChI=1S/C18H28N2O2/c1-5-22-17-7-6-16(14(3)15(17)4)18(21)13(2)12-20-10-8-19-9-11-20/h6-7,13,19H,5,8-12H2,1-4H3
InChIKeyUROWCQDLJIQNLH-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethyl-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82266405
1-(4-ethoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82266426
2-methyl-1-(5-methyl-2-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82263426
1-(2,3-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266393
2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one
CID 82262999
1-(2-chloro-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82267669
1-(3,6-dimethyl-2-propan-2-yloxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82266866
1-[2-methoxy-4-(trifluoromethyl)phenyl]-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82262939
1-(4-chloro-2,3-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 14071351
1-(4-methoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82266482
1-(4-ethoxy-2,3-dimethylphenyl)-2-propan-2-ylsulfanylethanone
CID 82053698
1-(4-ethoxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82263185

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one (CID 82266429) is 1-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one is CCOc1ccc(C(=O)C(C)CN2CCNCC2)c(C)c1C.
What is the InChIKey of 1-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one?
The InChIKey is UROWCQDLJIQNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-22-17-7-6-16(14(3)15(17)4)18(21)13(2)12-20-10-8-19-9-11-20/h6-7,13,19H,5,8-12H2,1-4H3.
What are the key properties of 1-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one?
1-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one has a molecular weight of 304.43 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82266429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).