4-[3-(2-hydroxyethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one

C15H23NO2S — CID 107228085

IUPAC4-[3-(2-hydroxyethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCN1CCCC(CCO)C1)c1cccs1
InChIInChI=1S/C15H23NO2S/c17-10-7-13-4-1-8-16(12-13)9-2-5-14(18)15-6-3-11-19-15/h3,6,11,13,17H,1-2,4-5,7-10,12H2
InChIKeyFXAUYYSRGOBEJF-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.81
Rot. Bonds7

About 4-[3-(2-hydroxyethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one

4-[3-(2-hydroxyethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one (PubChem CID 107228085) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-[3-(2-hydroxyethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-[3-(2-hydroxyethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one
PubChem CID107228085
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name4-[3-(2-hydroxyethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCN1CCCC(CCO)C1)c1cccs1
InChIInChI=1S/C15H23NO2S/c17-10-7-13-4-1-8-16(12-13)9-2-5-14(18)15-6-3-11-19-15/h3,6,11,13,17H,1-2,4-5,7-10,12H2
InChIKeyFXAUYYSRGOBEJF-UHFFFAOYSA-N
XLogP2.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(hydroxymethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 60688496
4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 112626449
2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-thiophen-2-ylethanone
CID 86325588
4-[3-(dimethylamino)pyrrolidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 63163843
4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
CID 43229376
4-(3-methoxy-4-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one
CID 102960564
1-(4-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107228840
3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 104926788
N,N-diethyl-4-[3-(2-hydroxyethyl)piperidin-1-yl]butanamide
CID 62356650
1-thiophen-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one
CID 62968235
1-(3-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107228830
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 62357149

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxyethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-[3-(2-hydroxyethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one (CID 107228085) is 4-[3-(2-hydroxyethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-[3-(2-hydroxyethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-[3-(2-hydroxyethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one is O=C(CCCN1CCCC(CCO)C1)c1cccs1.
What is the InChIKey of 4-[3-(2-hydroxyethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one?
The InChIKey is FXAUYYSRGOBEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c17-10-7-13-4-1-8-16(12-13)9-2-5-14(18)15-6-3-11-19-15/h3,6,11,13,17H,1-2,4-5,7-10,12H2.
What are the key properties of 4-[3-(2-hydroxyethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one?
4-[3-(2-hydroxyethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one has a molecular weight of 281.42 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxyethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 107228085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).