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

C15H23NO2S — CID 62371638

IUPAC1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-thiophen-2-ylbutan-1-one
SMILESO=C(CCCc1cccs1)N1CCCC(CCO)C1
InChIInChI=1S/C15H23NO2S/c17-10-8-13-4-2-9-16(12-13)15(18)7-1-5-14-6-3-11-19-14/h3,6,11,13,17H,1-2,4-5,7-10,12H2
InChIKeyLTYDKCXNSFOQMA-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.69
Rot. Bonds6

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

1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-thiophen-2-ylbutan-1-one (PubChem CID 62371638) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-thiophen-2-ylbutan-1-one
PubChem CID62371638
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-thiophen-2-ylbutan-1-one
SMILESO=C(CCCc1cccs1)N1CCCC(CCO)C1
InChIInChI=1S/C15H23NO2S/c17-10-8-13-4-2-9-16(12-13)15(18)7-1-5-14-6-3-11-19-14/h3,6,11,13,17H,1-2,4-5,7-10,12H2
InChIKeyLTYDKCXNSFOQMA-UHFFFAOYSA-N
XLogP2.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S*,4R*)-1-[3-(2,4-difluorophenyl)propanoyl]-4-(3-methyl-2-thienyl)piperidin-3-ol
CID 50970406
1-[4-(2-Methoxyethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 53150832
3-(Pyrrolidin-1-ylmethyl)-1-[4-(2-thienyl)butanoyl]piperidin-3-ol
CID 70726337
Cyclohex-3-en-1-yl(4-(thiophen-2-yl)piperidin-1-yl)methanone
CID 71787057
(3R*,4R*)-4-(2-methoxyethyl)-3-methyl-1-[4-(2-thienyl)butanoyl]-4-piperidinol
CID 72879782
{3-(Cyclopropylmethyl)-1-[3-(2-thienyl)propanoyl]-3-piperidinyl}methanol
CID 72888762
(1R*,3S*)-3-(2-hydroxyethoxy)-7-[4-(2-thienyl)butanoyl]-7-azaspiro[3.5]nonan-1-ol
CID 72891916
{(3R*,4R*)-4-[(4-methylpiperazin-1-yl)methyl]-1-[4-(2-thienyl)butanoyl]pyrrolidin-3-yl}methanol
CID 72914056
(S)-5-morpholino-5-oxo-3-(2-thienyl)valeric acid
CID 94703343
1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-2-thiophen-2-ylethanone
CID 72880866
(1R*,3S*)-7-[3-(2-thienyl)propanoyl]-7-azaspiro[3.5]nonane-1,3-diol
CID 72924164
4-Morpholin-4-yl-4-oxo-2-(thiophen-2-ylmethyl)butanoic acid
CID 72829185

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-thiophen-2-ylbutan-1-one?
The IUPAC name of 1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-thiophen-2-ylbutan-1-one (CID 62371638) is 1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-thiophen-2-ylbutan-1-one?
The canonical SMILES for 1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-thiophen-2-ylbutan-1-one is O=C(CCCc1cccs1)N1CCCC(CCO)C1.
What is the InChIKey of 1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-thiophen-2-ylbutan-1-one?
The InChIKey is LTYDKCXNSFOQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c17-10-8-13-4-2-9-16(12-13)15(18)7-1-5-14-6-3-11-19-14/h3,6,11,13,17H,1-2,4-5,7-10,12H2.
What are the key properties of 1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-thiophen-2-ylbutan-1-one?
1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-thiophen-2-ylbutan-1-one has a molecular weight of 281.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 62371638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).