2-(2,4-dimethylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone

C17H25NO2 — CID 17217256

IUPAC2-(2,4-dimethylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCc1ccc(OCC(=O)N2CC(C)CC(C)C2)c(C)c1
InChIInChI=1S/C17H25NO2/c1-12-5-6-16(15(4)8-12)20-11-17(19)18-9-13(2)7-14(3)10-18/h5-6,8,13-14H,7,9-11H2,1-4H3
InChIKeyRUPKZKURXSFNFD-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.19
Rot. Bonds3

About 2-(2,4-dimethylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone

2-(2,4-dimethylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone (PubChem CID 17217256) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
PubChem CID17217256
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(2,4-dimethylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCc1ccc(OCC(=O)N2CC(C)CC(C)C2)c(C)c1
InChIInChI=1S/C17H25NO2/c1-12-5-6-16(15(4)8-12)20-11-17(19)18-9-13(2)7-14(3)10-18/h5-6,8,13-14H,7,9-11H2,1-4H3
InChIKeyRUPKZKURXSFNFD-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-methylphenoxy)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 897056
2-(2,4-dimethylphenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60956652
1-(3-aminopyrrolidin-1-yl)-2-(2,4-dimethylphenoxy)ethanone;hydrochloride
CID 119482915
1-(4-aminopiperidin-1-yl)-2-(2,4-dimethylphenoxy)ethanone;hydrochloride
CID 119375533
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2,4-dimethylphenoxy)ethanone
CID 124611774
1-[4-[2-(2,4-dimethylphenoxy)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 108533811
2-(2,4-dimethylphenoxy)-1-[4-[2-(2,3,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108534589
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2434179
[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2434178
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 79410255
2-(2,4-dimethylphenoxy)-1-[4-(3,4,5-trihydroxybenzoyl)piperazin-1-yl]ethanone
CID 108534571
2-(2-bromo-4-chlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 112786449

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,4-dimethylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone (CID 17217256) is 2-(2,4-dimethylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone is Cc1ccc(OCC(=O)N2CC(C)CC(C)C2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The InChIKey is RUPKZKURXSFNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-5-6-16(15(4)8-12)20-11-17(19)18-9-13(2)7-14(3)10-18/h5-6,8,13-14H,7,9-11H2,1-4H3.
What are the key properties of 2-(2,4-dimethylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
2-(2,4-dimethylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone has a molecular weight of 275.39 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 17217256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).