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

C16H24N2O2 — CID 82266482

IUPAC1-(4-methoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)N2CCNCC2)c(C)c1C
InChIInChI=1S/C16H24N2O2/c1-11-12(2)15(20-4)6-5-14(11)16(19)13(3)18-9-7-17-8-10-18/h5-6,13,17H,7-10H2,1-4H3
InChIKeyIGTJPIGEUHRLHZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.79
Rot. Bonds4

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

1-(4-methoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one (PubChem CID 82266482) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(4-methoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one
PubChem CID82266482
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(4-methoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)N2CCNCC2)c(C)c1C
InChIInChI=1S/C16H24N2O2/c1-11-12(2)15(20-4)6-5-14(11)16(19)13(3)18-9-7-17-8-10-18/h5-6,13,17H,7-10H2,1-4H3
InChIKeyIGTJPIGEUHRLHZ-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82266426
1-(2,4-difluorophenyl)-2-piperazin-1-ylpropan-1-one
CID 62052304
1-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82266429
1-(2-methyl-4-phenoxyphenyl)-2-piperazin-1-ylpropan-1-one
CID 82264638
2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 82267292
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-(5-tert-butyl-2-methylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82266176
azepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone
CID 110763192
1-(4-ethoxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82264084
2-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylacetic acid
CID 55039331
2-(2-methoxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 24705201

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(4-methoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one (CID 82266482) is 1-(4-methoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-methoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-methoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one is COc1ccc(C(=O)C(C)N2CCNCC2)c(C)c1C.
What is the InChIKey of 1-(4-methoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one?
The InChIKey is IGTJPIGEUHRLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-12(2)15(20-4)6-5-14(11)16(19)13(3)18-9-7-17-8-10-18/h5-6,13,17H,7-10H2,1-4H3.
What are the key properties of 1-(4-methoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one?
1-(4-methoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82266482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).