1-[4-(1-hydroxyprop-2-ynyl)piperidin-1-yl]ethanone

C10H15NO2 — CID 178180946

IUPAC1-[4-(1-hydroxyprop-2-ynyl)piperidin-1-yl]ethanone
SMILESC#CC(O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C10H15NO2/c1-3-10(13)9-4-6-11(7-5-9)8(2)12/h1,9-10,13H,4-7H2,2H3
InChIKeyAIDXGQAAGLPSQG-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.24
Rot. Bonds1

About 1-[4-(1-hydroxyprop-2-ynyl)piperidin-1-yl]ethanone

1-[4-(1-hydroxyprop-2-ynyl)piperidin-1-yl]ethanone (PubChem CID 178180946) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-[4-(1-hydroxyprop-2-ynyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-hydroxyprop-2-ynyl)piperidin-1-yl]ethanone
PubChem CID178180946
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name1-[4-(1-hydroxyprop-2-ynyl)piperidin-1-yl]ethanone
SMILESC#CC(O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C10H15NO2/c1-3-10(13)9-4-6-11(7-5-9)8(2)12/h1,9-10,13H,4-7H2,2H3
InChIKeyAIDXGQAAGLPSQG-UHFFFAOYSA-N
XLogP0.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
1-[4-(1-bromoethyl)piperidin-1-yl]ethanone
CID 106839275
1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone
CID 90251705
1-(4,5-dimethylazepan-1-yl)ethanone
CID 139460502
1-[4-(2-amino-1-hydroxyethyl)azepan-1-yl]ethanone
CID 115006831
1-acetylpiperidine-4-carboxylic acid;ethane
CID 144882491
1-(4-sulfanylpiperidin-1-yl)ethanone
CID 91167607
1-(4-bromopiperidin-1-yl)ethanone
CID 22894003
bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 175316755
1-acetyl-N-(2-hydroxypropyl)piperidine-4-carboxamide
CID 43392752
propane;1-pyrrolidin-1-ylethanone
CID 143432619
azepan-1-yl-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835725

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyprop-2-ynyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(1-hydroxyprop-2-ynyl)piperidin-1-yl]ethanone (CID 178180946) is 1-[4-(1-hydroxyprop-2-ynyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1-hydroxyprop-2-ynyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1-hydroxyprop-2-ynyl)piperidin-1-yl]ethanone is C#CC(O)C1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-(1-hydroxyprop-2-ynyl)piperidin-1-yl]ethanone?
The InChIKey is AIDXGQAAGLPSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-10(13)9-4-6-11(7-5-9)8(2)12/h1,9-10,13H,4-7H2,2H3.
What are the key properties of 1-[4-(1-hydroxyprop-2-ynyl)piperidin-1-yl]ethanone?
1-[4-(1-hydroxyprop-2-ynyl)piperidin-1-yl]ethanone has a molecular weight of 181.24 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyprop-2-ynyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 178180946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).