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

C16H23NO2 — CID 21173488

IUPAC2-(3,5-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1cc(C)cc(OCC(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C16H23NO2/c1-12-4-6-17(7-5-12)16(18)11-19-15-9-13(2)8-14(3)10-15/h8-10,12H,4-7,11H2,1-3H3
InChIKeyKCRCWRAGPFSWHR-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.94
Rot. Bonds3

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

2-(3,5-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 21173488) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID21173488
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(3,5-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1cc(C)cc(OCC(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C16H23NO2/c1-12-4-6-17(7-5-12)16(18)11-19-15-9-13(2)8-14(3)10-15/h8-10,12H,4-7,11H2,1-3H3
InChIKeyKCRCWRAGPFSWHR-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-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 797864
1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide
CID 54794164
1-[2-(3,5-dimethylphenoxy)acetyl]piperidin-4-one
CID 39361344
ethyl 4-[2-(3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate
CID 3334137
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
2-[4-[2-(3,5-dimethylphenoxy)acetyl]piperazin-1-yl]acetic acid
CID 119934690
4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 18166061
ethyl 4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzoate
CID 52890363
(3R)-1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 51518691
2-(3,5-dimethylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 2381168
2-(2,4-dimethyl-6-nitrophenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 17413599

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(3,5-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone (CID 21173488) is 2-(3,5-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone is Cc1cc(C)cc(OCC(=O)N2CCC(C)CC2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is KCRCWRAGPFSWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-4-6-17(7-5-12)16(18)11-19-15-9-13(2)8-14(3)10-15/h8-10,12H,4-7,11H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
2-(3,5-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-(3,5-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 21173488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).