3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one

C15H22N2O2 — CID 82133342

IUPAC3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one
SMILESCOc1ccc(CCC(=O)N2CCNCC2)cc1C
InChIInChI=1S/C15H22N2O2/c1-12-11-13(3-5-14(12)19-2)4-6-15(18)17-9-7-16-8-10-17/h3,5,11,16H,4,6-10H2,1-2H3
InChIKeyPUZXWPXUOJXCLA-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.37
Rot. Bonds4

About 3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one

3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one (PubChem CID 82133342) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one
PubChem CID82133342
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one
SMILESCOc1ccc(CCC(=O)N2CCNCC2)cc1C
InChIInChI=1S/C15H22N2O2/c1-12-11-13(3-5-14(12)19-2)4-6-15(18)17-9-7-16-8-10-17/h3,5,11,16H,4,6-10H2,1-2H3
InChIKeyPUZXWPXUOJXCLA-UHFFFAOYSA-N
XLogP1.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-amino-4-methoxyphenyl)-1-(1,4-diazepan-1-yl)propan-1-one
CID 82153341
3-(3-chloro-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 60712683
3-(3,4-dimethoxyphenyl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 110743470
2-(3-bromo-4-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82135497
3-(3-amino-4,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 82071054
3-(4-methoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
CID 83940086
2-(5-ethyl-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82090895
2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone
CID 141462350
3-(3,4-dimethoxyphenyl)-1-[4-(4-methylphenyl)piperazin-1-yl]propan-1-one
CID 113075310
3-(4-chloro-3-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 145472611
3-(4-chloro-2,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 82648208
3-(3,4-dimethoxyphenyl)-1-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 108547876

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one (CID 82133342) is 3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one is COc1ccc(CCC(=O)N2CCNCC2)cc1C.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is PUZXWPXUOJXCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-11-13(3-5-14(12)19-2)4-6-15(18)17-9-7-16-8-10-17/h3,5,11,16H,4,6-10H2,1-2H3.
What are the key properties of 3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one?
3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82133342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).