3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one

C15H22N2O2 — CID 39257182

IUPAC3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one
SMILESCc1ccc(OCCC(=O)N2CCNCC2)cc1C
InChIInChI=1S/C15H22N2O2/c1-12-3-4-14(11-13(12)2)19-10-5-15(18)17-8-6-16-7-9-17/h3-4,11,16H,5-10H2,1-2H3
InChIKeyXWZGCHBHEPLYMR-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.50
Rot. Bonds4

About 3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one

3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one (PubChem CID 39257182) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one
PubChem CID39257182
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one
SMILESCc1ccc(OCCC(=O)N2CCNCC2)cc1C
InChIInChI=1S/C15H22N2O2/c1-12-3-4-14(11-13(12)2)19-10-5-15(18)17-8-6-16-7-9-17/h3-4,11,16H,5-10H2,1-2H3
InChIKeyXWZGCHBHEPLYMR-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402035
4-[3-(3,4-dimethylphenoxy)propanoyl]-1,4-diazepan-2-one
CID 62898366
3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
CID 39256403
3-[(6-methyl-3-pyridinyl)oxy]-1-piperazin-1-ylpropan-1-one
CID 114608443
3-(3-hydroxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 2759326
4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39257144
(3S)-1-[3-(3,4-dimethylphenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124696669
1-piperazin-1-yl-3-(4-propanoylphenoxy)propan-1-one
CID 82147379
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-(3,4-dimethylphenoxy)propan-1-one
CID 119664515
3-(4-chloro-3-methylphenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 39418866
N-cyclopropyl-2-[4-[3-(3,4-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide
CID 47022937
3-(4-chloro-2-methylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 55085396

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one (CID 39257182) is 3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one is Cc1ccc(OCCC(=O)N2CCNCC2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one?
The InChIKey is XWZGCHBHEPLYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-3-4-14(11-13(12)2)19-10-5-15(18)17-8-6-16-7-9-17/h3-4,11,16H,5-10H2,1-2H3.
What are the key properties of 3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one?
3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 39257182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).