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

C18H28N2O2 — CID 82266393

IUPAC1-(2,3-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
SMILESCCCOc1ccc(C(=O)CCN2CCNCC2)c(C)c1C
InChIInChI=1S/C18H28N2O2/c1-4-13-22-18-6-5-16(14(2)15(18)3)17(21)7-10-20-11-8-19-9-12-20/h5-6,19H,4,7-13H2,1-3H3
InChIKeyZHDOVONNNIGSGH-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.57
Rot. Bonds7

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

1-(2,3-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one (PubChem CID 82266393) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(2,3-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
PubChem CID82266393
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-(2,3-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
SMILESCCCOc1ccc(C(=O)CCN2CCNCC2)c(C)c1C
InChIInChI=1S/C18H28N2O2/c1-4-13-22-18-6-5-16(14(2)15(18)3)17(21)7-10-20-11-8-19-9-12-20/h5-6,19H,4,7-13H2,1-3H3
InChIKeyZHDOVONNNIGSGH-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-ethoxy-2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 93193638
1-(2-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82264527
1-(4-ethoxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82263185
1-(2,3-dimethyl-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82266405
5-(2,3-dimethyl-4-propoxyphenyl)-5-oxopentanoic acid
CID 82266372
3-(1,4-diazepan-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-one
CID 82136479
1-(2,6-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266630
1-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82266429
1-(2-chloro-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82267623
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-one
CID 82262863
1-(5-methyl-2-propoxyphenyl)-2-piperazin-1-ylethanone
CID 82263418
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064821

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(2,3-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one (CID 82266393) is 1-(2,3-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2,3-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(2,3-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one is CCCOc1ccc(C(=O)CCN2CCNCC2)c(C)c1C.
What is the InChIKey of 1-(2,3-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is ZHDOVONNNIGSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-13-22-18-6-5-16(14(2)15(18)3)17(21)7-10-20-11-8-19-9-12-20/h5-6,19H,4,7-13H2,1-3H3.
What are the key properties of 1-(2,3-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one?
1-(2,3-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-(2,3-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82266393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).