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

C11H21NO3 — CID 114509876

IUPAC2-ethoxy-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone
SMILESCCOCC(=O)N1CCC(O)C(CC)C1
InChIInChI=1S/C11H21NO3/c1-3-9-7-12(6-5-10(9)13)11(14)8-15-4-2/h9-10,13H,3-8H2,1-2H3
InChIKeySZILBSMILWJVGY-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.64
Rot. Bonds4

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

2-ethoxy-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone (PubChem CID 114509876) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-ethoxy-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-ethoxy-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone
PubChem CID114509876
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-ethoxy-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone
SMILESCCOCC(=O)N1CCC(O)C(CC)C1
InChIInChI=1S/C11H21NO3/c1-3-9-7-12(6-5-10(9)13)11(14)8-15-4-2/h9-10,13H,3-8H2,1-2H3
InChIKeySZILBSMILWJVGY-UHFFFAOYSA-N
XLogP0.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43391718
1-(3-ethyl-4-hydroxypiperidin-1-yl)pentan-1-one
CID 114509873
1-[3-(diethylamino)pyrrolidin-1-yl]-2-ethoxyethanone
CID 64592292
1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-ethoxyethanone
CID 95358475
2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethoxy]acetic acid
CID 114678072
2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60958052
ethyl (3S,4R)-3-(aminomethyl)-4-hydroxypiperidine-1-carboxylate
CID 59145083
1-[4-(chloromethyl)piperidin-1-yl]-2-ethoxyethanone
CID 63397851
1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethanone
CID 20583703
2-ethoxy-1-(4-methylazepan-1-yl)ethanone
CID 62046305
2-ethoxy-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 64590973
2-amino-1-[(3S,4R)-4-hydroxy-3-propylpiperidin-1-yl]ethanone
CID 129496536

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-ethoxy-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone (CID 114509876) is 2-ethoxy-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-ethoxy-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-ethoxy-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone is CCOCC(=O)N1CCC(O)C(CC)C1.
What is the InChIKey of 2-ethoxy-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone?
The InChIKey is SZILBSMILWJVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-9-7-12(6-5-10(9)13)11(14)8-15-4-2/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 2-ethoxy-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone?
2-ethoxy-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone has a molecular weight of 215.29 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 114509876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).