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

C17H26N2O2 — CID 82266426

IUPAC1-(4-ethoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one
SMILESCCOc1ccc(C(=O)C(C)N2CCNCC2)c(C)c1C
InChIInChI=1S/C17H26N2O2/c1-5-21-16-7-6-15(12(2)13(16)3)17(20)14(4)19-10-8-18-9-11-19/h6-7,14,18H,5,8-11H2,1-4H3
InChIKeyDLDICBHQLPBFKU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.18
Rot. Bonds5

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

1-(4-ethoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one (PubChem CID 82266426) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(4-ethoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-ethoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one
PubChem CID82266426
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(4-ethoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one
SMILESCCOc1ccc(C(=O)C(C)N2CCNCC2)c(C)c1C
InChIInChI=1S/C17H26N2O2/c1-5-21-16-7-6-15(12(2)13(16)3)17(20)14(4)19-10-8-18-9-11-19/h6-7,14,18H,5,8-11H2,1-4H3
InChIKeyDLDICBHQLPBFKU-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82266482
1-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82266429
1-(4-ethoxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82264084
1-(2,3-dimethyl-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82266405
1-(2-ethyl-4-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one
CID 82267459
1-(2,3-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266393
1-(4-ethoxy-2,3-dimethylphenyl)-2-propan-2-ylsulfanylethanone
CID 82053698
1-(2,4-difluorophenyl)-2-piperazin-1-ylpropan-1-one
CID 62052304
1-(3,4-diethoxyphenyl)-2-pyrrolidin-1-ylpropan-1-one
CID 6430840
1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171275548
1-[1-(4-ethoxy-3-methylphenyl)ethyl]piperazine
CID 82296699
1-(2-methyl-4-phenoxyphenyl)-2-piperazin-1-ylpropan-1-one
CID 82264638

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(4-ethoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one (CID 82266426) is 1-(4-ethoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-ethoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-ethoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one is CCOc1ccc(C(=O)C(C)N2CCNCC2)c(C)c1C.
What is the InChIKey of 1-(4-ethoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one?
The InChIKey is DLDICBHQLPBFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-21-16-7-6-15(12(2)13(16)3)17(20)14(4)19-10-8-18-9-11-19/h6-7,14,18H,5,8-11H2,1-4H3.
What are the key properties of 1-(4-ethoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one?
1-(4-ethoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.18, 5 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-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82266426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).