3-(2,6-dimethoxyphenoxy)-1-piperazin-1-ylpropan-1-one

C15H22N2O4 — CID 39288381

IUPAC3-(2,6-dimethoxyphenoxy)-1-piperazin-1-ylpropan-1-one
SMILESCOc1cccc(OC)c1OCCC(=O)N1CCNCC1
InChIInChI=1S/C15H22N2O4/c1-19-12-4-3-5-13(20-2)15(12)21-11-6-14(18)17-9-7-16-8-10-17/h3-5,16H,6-11H2,1-2H3
InChIKeyPNRCFSRHNJNTMQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.90
Rot. Bonds6

About 3-(2,6-dimethoxyphenoxy)-1-piperazin-1-ylpropan-1-one

3-(2,6-dimethoxyphenoxy)-1-piperazin-1-ylpropan-1-one (PubChem CID 39288381) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenoxy)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenoxy)-1-piperazin-1-ylpropan-1-one
PubChem CID39288381
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-(2,6-dimethoxyphenoxy)-1-piperazin-1-ylpropan-1-one
SMILESCOc1cccc(OC)c1OCCC(=O)N1CCNCC1
InChIInChI=1S/C15H22N2O4/c1-19-12-4-3-5-13(20-2)15(12)21-11-6-14(18)17-9-7-16-8-10-17/h3-5,16H,6-11H2,1-2H3
InChIKeyPNRCFSRHNJNTMQ-UHFFFAOYSA-N
XLogP0.90
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 39445675
1-(1,4-diazepan-1-yl)-3-(2,3-dimethylphenoxy)propan-1-one;hydrochloride
CID 119418568
2-(3-oxo-3-piperazin-1-ylpropoxy)benzamide
CID 62543936
3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
CID 39256403
3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one
CID 4740257
3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402035
1-piperazin-1-yl-3-(2,4,6-trichlorophenoxy)propan-1-one
CID 62544265
3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39257182
3-(3-hydroxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 2759326
1-(1,4-diazepan-1-yl)-3-(2-methoxyphenyl)propan-1-one
CID 82090865
1-piperazin-1-yl-3-(2,4,6-tribromophenoxy)propan-1-one
CID 62544411
4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39284680

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenoxy)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(2,6-dimethoxyphenoxy)-1-piperazin-1-ylpropan-1-one (CID 39288381) is 3-(2,6-dimethoxyphenoxy)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2,6-dimethoxyphenoxy)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(2,6-dimethoxyphenoxy)-1-piperazin-1-ylpropan-1-one is COc1cccc(OC)c1OCCC(=O)N1CCNCC1.
What is the InChIKey of 3-(2,6-dimethoxyphenoxy)-1-piperazin-1-ylpropan-1-one?
The InChIKey is PNRCFSRHNJNTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-19-12-4-3-5-13(20-2)15(12)21-11-6-14(18)17-9-7-16-8-10-17/h3-5,16H,6-11H2,1-2H3.
What are the key properties of 3-(2,6-dimethoxyphenoxy)-1-piperazin-1-ylpropan-1-one?
3-(2,6-dimethoxyphenoxy)-1-piperazin-1-ylpropan-1-one has a molecular weight of 294.35 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenoxy)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 39288381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).