1-[1-(2-ethoxyethyl)-4-hydroxypiperidin-4-yl]ethanone

C11H21NO3 — CID 122212870

IUPAC1-[1-(2-ethoxyethyl)-4-hydroxypiperidin-4-yl]ethanone
SMILESCCOCCN1CCC(O)(C(C)=O)CC1
InChIInChI=1S/C11H21NO3/c1-3-15-9-8-12-6-4-11(14,5-7-12)10(2)13/h14H,3-9H2,1-2H3
InChIKeyQTHGJLLQBJPKMJ-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.44
Rot. Bonds5

About 1-[1-(2-ethoxyethyl)-4-hydroxypiperidin-4-yl]ethanone

1-[1-(2-ethoxyethyl)-4-hydroxypiperidin-4-yl]ethanone (PubChem CID 122212870) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-[1-(2-ethoxyethyl)-4-hydroxypiperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-ethoxyethyl)-4-hydroxypiperidin-4-yl]ethanone
PubChem CID122212870
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-[1-(2-ethoxyethyl)-4-hydroxypiperidin-4-yl]ethanone
SMILESCCOCCN1CCC(O)(C(C)=O)CC1
InChIInChI=1S/C11H21NO3/c1-3-15-9-8-12-6-4-11(14,5-7-12)10(2)13/h14H,3-9H2,1-2H3
InChIKeyQTHGJLLQBJPKMJ-UHFFFAOYSA-N
XLogP0.44
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[1-(2-ethoxyethyl)-4-hydroxypiperidin-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethoxyethyl)-4,4-dimethylpiperidine
CID 142902694
1-[3-[2-(2-ethoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]ethanone
CID 169159063
1-(2-ethoxyethyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63148735
1-(2-ethoxyethyl)-4-methylpiperidine-4-carbonitrile
CID 103993940
1-(2-ethoxyethyl)piperidine
CID 22622871
1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane
CID 10529041
1-(3-ethoxypropyl)-3-methylpyrrolidin-3-ol
CID 103728740
1-(2-ethoxyethyl)piperidin-4-one
CID 15410842
methyl 1-(2-ethoxyethyl)piperidine-4-carboxylate
CID 60691218
1-(1-acetyl-4-hydroxypiperidin-4-yl)ethanone
CID 15117211
1-(2-ethoxyethyl)-N-methylpiperidine-4-carboxamide
CID 134055126
(2S)-2-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-1-one
CID 129393995

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxyethyl)-4-hydroxypiperidin-4-yl]ethanone?
The IUPAC name of 1-[1-(2-ethoxyethyl)-4-hydroxypiperidin-4-yl]ethanone (CID 122212870) is 1-[1-(2-ethoxyethyl)-4-hydroxypiperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-(2-ethoxyethyl)-4-hydroxypiperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-(2-ethoxyethyl)-4-hydroxypiperidin-4-yl]ethanone is CCOCCN1CCC(O)(C(C)=O)CC1.
What is the InChIKey of 1-[1-(2-ethoxyethyl)-4-hydroxypiperidin-4-yl]ethanone?
The InChIKey is QTHGJLLQBJPKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-15-9-8-12-6-4-11(14,5-7-12)10(2)13/h14H,3-9H2,1-2H3.
What are the key properties of 1-[1-(2-ethoxyethyl)-4-hydroxypiperidin-4-yl]ethanone?
1-[1-(2-ethoxyethyl)-4-hydroxypiperidin-4-yl]ethanone has a molecular weight of 215.29 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethoxyethyl)-4-hydroxypiperidin-4-yl]ethanone is sourced from PubChem (CID 122212870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).