2-(4-ethoxy-3-methylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone

C16H23NO3 — CID 98021084

IUPAC2-(4-ethoxy-3-methylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCC(O)CC2)cc1C
InChIInChI=1S/C16H23NO3/c1-3-20-15-5-4-13(10-12(15)2)11-16(19)17-8-6-14(18)7-9-17/h4-5,10,14,18H,3,6-9,11H2,1-2H3
InChIKeyKWRHMQNQHZITLA-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.92
Rot. Bonds4

About 2-(4-ethoxy-3-methylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone

2-(4-ethoxy-3-methylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone (PubChem CID 98021084) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(4-ethoxy-3-methylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethoxy-3-methylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
PubChem CID98021084
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(4-ethoxy-3-methylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCC(O)CC2)cc1C
InChIInChI=1S/C16H23NO3/c1-3-20-15-5-4-13(10-12(15)2)11-16(19)17-8-6-14(18)7-9-17/h4-5,10,14,18H,3,6-9,11H2,1-2H3
InChIKeyKWRHMQNQHZITLA-UHFFFAOYSA-N
XLogP1.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxy-3-methylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 84600938
1-[4-[2-(2,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 108534597
1-[4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone
CID 110815280
4-(4-ethoxy-3-methylphenyl)-1-[4-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one
CID 46991069
2-(4-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43393427
2-(4-butylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43393419
1-bromo-3-(4-ethoxy-3-methylphenyl)propan-2-one
CID 134616786
2-(4-amino-3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 69309353
1-(4-hydroxypiperidin-1-yl)-2-(2,4,5-trimethylphenyl)ethanone
CID 82485265
2-(3,4-dimethylphenyl)-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone
CID 114509955
1-[4-(1-chloroethyl)piperidin-1-yl]-2-(3,4-dimethylphenyl)ethanone
CID 106838762
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-(3-methoxy-4-methylphenyl)ethanone
CID 103900845

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-methylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-ethoxy-3-methylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone (CID 98021084) is 2-(4-ethoxy-3-methylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-ethoxy-3-methylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-ethoxy-3-methylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone is CCOc1ccc(CC(=O)N2CCC(O)CC2)cc1C.
What is the InChIKey of 2-(4-ethoxy-3-methylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The InChIKey is KWRHMQNQHZITLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-20-15-5-4-13(10-12(15)2)11-16(19)17-8-6-14(18)7-9-17/h4-5,10,14,18H,3,6-9,11H2,1-2H3.
What are the key properties of 2-(4-ethoxy-3-methylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone?
2-(4-ethoxy-3-methylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone has a molecular weight of 277.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-methylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 98021084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).