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

C16H24N2O2 — CID 83940086

IUPAC3-(4-methoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
SMILESCOc1cc(C)c(CCC(=O)N2CCNCC2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-12-10-14(20-3)11-13(2)15(12)4-5-16(19)18-8-6-17-7-9-18/h10-11,17H,4-9H2,1-3H3
InChIKeyFFGFMYBUZICWBD-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.68
Rot. Bonds4

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

3-(4-methoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one (PubChem CID 83940086) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(4-methoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-methoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
PubChem CID83940086
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(4-methoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
SMILESCOc1cc(C)c(CCC(=O)N2CCNCC2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-12-10-14(20-3)11-13(2)15(12)4-5-16(19)18-8-6-17-7-9-18/h10-11,17H,4-9H2,1-3H3
InChIKeyFFGFMYBUZICWBD-UHFFFAOYSA-N
XLogP1.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
CID 110833337
3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one
CID 82133342
3-(2-chloro-4,5-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
CID 83931483
3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39257182
1-(4-methoxy-2,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82136471
4-(2-ethyl-4-methoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83941549
4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39284680
3-(4-chloro-2,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 82648208
1-(4-methoxyphenyl)-4-piperazin-1-ylbutane-1,4-dione;hydrochloride
CID 119401755
3-(5-bromo-2-hydroxy-3-methoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 83954647
3-(2-chloro-4,5-dimethoxyphenyl)-1-(1,4-diazepan-1-yl)propan-1-one
CID 83943607
3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120980490

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(4-methoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one (CID 83940086) is 3-(4-methoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(4-methoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(4-methoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one is COc1cc(C)c(CCC(=O)N2CCNCC2)c(C)c1.
What is the InChIKey of 3-(4-methoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is FFGFMYBUZICWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-10-14(20-3)11-13(2)15(12)4-5-16(19)18-8-6-17-7-9-18/h10-11,17H,4-9H2,1-3H3.
What are the key properties of 3-(4-methoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one?
3-(4-methoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 83940086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).