4-ethoxy-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one

C12H23NO3 — CID 80707058

IUPAC4-ethoxy-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
SMILESCCOCCCC(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C12H23NO3/c1-3-16-10-4-5-11(14)13-8-6-12(2,15)7-9-13/h15H,3-10H2,1-2H3
InChIKeyQSCDRWQVZSYEJC-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.18
Rot. Bonds5

About 4-ethoxy-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one

4-ethoxy-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one (PubChem CID 80707058) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-ethoxy-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-ethoxy-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
PubChem CID80707058
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-ethoxy-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
SMILESCCOCCCC(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C12H23NO3/c1-3-16-10-4-5-11(14)13-8-6-12(2,15)7-9-13/h15H,3-10H2,1-2H3
InChIKeyQSCDRWQVZSYEJC-UHFFFAOYSA-N
XLogP1.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-4-ethoxybutan-1-one
CID 107160140
1-(4-hydroxy-4-methylazepan-1-yl)-4-methoxybutan-1-one
CID 107406466
1-(4-hydroxy-4-methylpiperidin-1-yl)nonan-1-one
CID 80707384
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methoxybutan-1-one
CID 103726993
1-(4-hydroxy-4-methylazepan-1-yl)hexan-1-one
CID 107406032
1-(4-hydroxy-4-methylazepan-1-yl)heptan-1-one
CID 107406036
4-[2-[2-(6-ethoxyhexoxy)ethoxy]ethoxy]-1-(4-methylpiperazin-1-yl)butan-1-one
CID 170000941
ethane;4-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 156820072
2-[2-[2-[4-(4-hydroxy-4-methylpiperidin-1-yl)-4-oxobutoxy]ethoxymethyl]-3-[2-(4-methoxybutanoyloxy)ethoxy]-2-[2-(4-methoxybutanoyloxy)ethoxymethyl]propoxy]ethyl 4-methoxybutanoate
CID 58361427
1-(4-ethoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982524
4-cyclohexyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
CID 80707393
4-ethoxy-1-[3-(methylamino)pyrrolidin-1-yl]butan-1-one
CID 81466362

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one?
The IUPAC name of 4-ethoxy-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one (CID 80707058) is 4-ethoxy-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 4-ethoxy-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 4-ethoxy-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one is CCOCCCC(=O)N1CCC(C)(O)CC1.
What is the InChIKey of 4-ethoxy-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one?
The InChIKey is QSCDRWQVZSYEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-16-10-4-5-11(14)13-8-6-12(2,15)7-9-13/h15H,3-10H2,1-2H3.
What are the key properties of 4-ethoxy-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one?
4-ethoxy-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one has a molecular weight of 229.32 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 80707058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).