1-(4-methoxy-2,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one

C16H24N2O2 — CID 82136471

IUPAC1-(4-methoxy-2,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
SMILESCOc1cc(C)c(C(=O)CCN2CCNCC2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-12-10-14(20-3)11-13(2)16(12)15(19)4-7-18-8-5-17-6-9-18/h10-11,17H,4-9H2,1-3H3
InChIKeyZEUYPLZPEDZEBC-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.79
Rot. Bonds5

About 1-(4-methoxy-2,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one

1-(4-methoxy-2,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one (PubChem CID 82136471) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(4-methoxy-2,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methoxy-2,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
PubChem CID82136471
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(4-methoxy-2,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
SMILESCOc1cc(C)c(C(=O)CCN2CCNCC2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-12-10-14(20-3)11-13(2)16(12)15(19)4-7-18-8-5-17-6-9-18/h10-11,17H,4-9H2,1-3H3
InChIKeyZEUYPLZPEDZEBC-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-(2,6-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266630
1-(5-chloro-2-methoxy-3,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266700
1-(5-chloro-2-hydroxy-3,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266664
3-(1,4-diazepan-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 82064884
1-(4-ethoxy-2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 93193304
3-(azepan-1-yl)-1-(4-ethoxy-2,6-dimethylphenyl)propan-1-one
CID 82053134
1-(4-ethoxy-2,6-dimethylphenyl)-2-piperazin-1-ylethanone
CID 82266551
1-(2-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82264527
3-(1,4-diazepan-1-yl)-1-(2,5-dimethoxyphenyl)propan-1-one
CID 82064893
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064821
3-(4-methoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
CID 83940086
1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064831

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one (CID 82136471) is 1-(4-methoxy-2,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-methoxy-2,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-methoxy-2,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one is COc1cc(C)c(C(=O)CCN2CCNCC2)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is ZEUYPLZPEDZEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-10-14(20-3)11-13(2)16(12)15(19)4-7-18-8-5-17-6-9-18/h10-11,17H,4-9H2,1-3H3.
What are the key properties of 1-(4-methoxy-2,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one?
1-(4-methoxy-2,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82136471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).