1-(2,6-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one

C18H28N2O2 — CID 82266630

IUPAC1-(2,6-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
SMILESCCCOc1cc(C)c(C(=O)CCN2CCNCC2)c(C)c1
InChIInChI=1S/C18H28N2O2/c1-4-11-22-16-12-14(2)18(15(3)13-16)17(21)5-8-20-9-6-19-7-10-20/h12-13,19H,4-11H2,1-3H3
InChIKeyNURHSYQRAACVAI-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.57
Rot. Bonds7

About 1-(2,6-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one

1-(2,6-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one (PubChem CID 82266630) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
PubChem CID82266630
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-(2,6-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
SMILESCCCOc1cc(C)c(C(=O)CCN2CCNCC2)c(C)c1
InChIInChI=1S/C18H28N2O2/c1-4-11-22-16-12-14(2)18(15(3)13-16)17(21)5-8-20-9-6-19-7-10-20/h12-13,19H,4-11H2,1-3H3
InChIKeyNURHSYQRAACVAI-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-2,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82136471
1-(2-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82264527
1-[4-(2,6-dimethyl-4-propoxyphenyl)butyl]piperazine
CID 83940345
3-(azepan-1-yl)-1-(4-ethoxy-2,6-dimethylphenyl)propan-1-one
CID 82053134
1-(4-ethoxy-2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 93193304
1-(4-ethoxy-2,6-dimethylphenyl)-2-piperazin-1-ylethanone
CID 82266551
1-(2-methyl-4-propoxyphenyl)-2-piperazin-1-ylethanone
CID 82264526
1-(2,3-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266393
1-(2-methyl-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 566846
1-(5-chloro-2-hydroxy-3,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266664
3-(3,5-dimethylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119447863
1-(5-chloro-2-methoxy-3,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266700

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(2,6-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one (CID 82266630) is 1-(2,6-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2,6-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(2,6-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one is CCCOc1cc(C)c(C(=O)CCN2CCNCC2)c(C)c1.
What is the InChIKey of 1-(2,6-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is NURHSYQRAACVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-11-22-16-12-14(2)18(15(3)13-16)17(21)5-8-20-9-6-19-7-10-20/h12-13,19H,4-11H2,1-3H3.
What are the key properties of 1-(2,6-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one?
1-(2,6-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one has a molecular weight of 304.43 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82266630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).