[3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone

C11H15NO2S — CID 43422291

IUPAC[3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCCC(CO)C1
InChIInChI=1S/C11H15NO2S/c13-7-9-2-1-4-12(6-9)11(14)10-3-5-15-8-10/h3,5,8-9,13H,1-2,4,6-7H2
InChIKeyZOQNJFMZWPRUCS-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.59
Rot. Bonds2

About [3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone

[3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 43422291) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is [3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID43422291
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name[3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCCC(CO)C1
InChIInChI=1S/C11H15NO2S/c13-7-9-2-1-4-12(6-9)11(14)10-3-5-15-8-10/h3,5,8-9,13H,1-2,4,6-7H2
InChIKeyZOQNJFMZWPRUCS-UHFFFAOYSA-N
XLogP1.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide
CID 45207272
(3R)-1-(thiophene-3-carbonyl)piperidine-3-carboxylic acid
CID 30044914
[3-(pyridin-2-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 175652360
[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 125000817
N-[4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
CID 110886904
[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 125024367
(3-chlorothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 80640844
(4-methylpiperidin-1-yl)-[4-[[1-(thiophene-3-carbonyl)piperidin-3-yl]methoxy]phenyl]methanone
CID 53150128
4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 113384996
ethyl (3S)-1-(thiophene-3-carbonyl)piperidine-3-carboxylate
CID 81344391
(3,5-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 42883607
(3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422289

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone (CID 43422291) is [3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCCC(CO)C1.
What is the InChIKey of [3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is ZOQNJFMZWPRUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-7-9-2-1-4-12(6-9)11(14)10-3-5-15-8-10/h3,5,8-9,13H,1-2,4,6-7H2.
What are the key properties of [3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone?
[3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 225.31 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 43422291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).