2-ethoxy-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone

C10H19NO3 — CID 115874750

IUPAC2-ethoxy-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
SMILESCCOCC(=O)N1CCCC(C)(O)C1
InChIInChI=1S/C10H19NO3/c1-3-14-7-9(12)11-6-4-5-10(2,13)8-11/h13H,3-8H2,1-2H3
InChIKeyQSNSMXAPCLQZCT-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.40
Rot. Bonds3

About 2-ethoxy-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone

2-ethoxy-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone (PubChem CID 115874750) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-ethoxy-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-ethoxy-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
PubChem CID115874750
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-ethoxy-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
SMILESCCOCC(=O)N1CCCC(C)(O)C1
InChIInChI=1S/C10H19NO3/c1-3-14-7-9(12)11-6-4-5-10(2,13)8-11/h13H,3-8H2,1-2H3
InChIKeyQSNSMXAPCLQZCT-UHFFFAOYSA-N
XLogP0.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone
CID 135101216
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethoxyethanone
CID 102849595
1-(3-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 115874379
2-(4-chlorophenoxy)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115874384
ethyl 4-hydroxy-4-methylazepane-1-carboxylate
CID 107406895
2-(2-aminoethoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103355882
2-(2-fluorophenoxy)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115875253
N-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-N-methylacetamide
CID 115874792
(2S)-2-amino-1-(3-hydroxy-3-methylpiperidin-1-yl)butan-1-one
CID 104876680
(3R)-1'-(2-ethoxyacetyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95718964
3-hydroxy-N,3-dimethylpiperidine-1-carboxamide
CID 115872031
2-ethoxy-1-(1,4-thiazepan-4-yl)ethanone
CID 60776058

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-ethoxy-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone (CID 115874750) is 2-ethoxy-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-ethoxy-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-ethoxy-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone is CCOCC(=O)N1CCCC(C)(O)C1.
What is the InChIKey of 2-ethoxy-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone?
The InChIKey is QSNSMXAPCLQZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-14-7-9(12)11-6-4-5-10(2,13)8-11/h13H,3-8H2,1-2H3.
What are the key properties of 2-ethoxy-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone?
2-ethoxy-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone has a molecular weight of 201.27 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 115874750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).