2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone

C16H23NO2 — CID 797864

IUPAC2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1ccc(OCC(=O)N2CCC(C)CC2)cc1C
InChIInChI=1S/C16H23NO2/c1-12-6-8-17(9-7-12)16(18)11-19-15-5-4-13(2)14(3)10-15/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyFHWJCEAJGPSPJS-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.94
Rot. Bonds3

About 2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone

2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 797864) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID797864
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1ccc(OCC(=O)N2CCC(C)CC2)cc1C
InChIInChI=1S/C16H23NO2/c1-12-6-8-17(9-7-12)16(18)11-19-15-5-4-13(2)14(3)10-15/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyFHWJCEAJGPSPJS-UHFFFAOYSA-N
XLogP2.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 730217
2-(4-chloro-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 883850
1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide
CID 54794063
2-(3,5-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 21173488
1-[2-(3,4-dimethylphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119479
1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 108568804
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549110
2-(3,4-dimethylphenoxy)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 110618119
2-(3,4-dimethylphenoxy)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone
CID 136527045
2-(3,4-dimethylphenoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110308169
1-[(3S)-3-aminopiperidin-1-yl]-2-(3,4-dimethylphenoxy)ethanone
CID 124628173
4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 18166061

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone (CID 797864) is 2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone is Cc1ccc(OCC(=O)N2CCC(C)CC2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is FHWJCEAJGPSPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-6-8-17(9-7-12)16(18)11-19-15-5-4-13(2)14(3)10-15/h4-5,10,12H,6-9,11H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 261.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 797864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).