1-[2-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone

C12H17NO2S — CID 43421587

IUPAC1-[2-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCCCC1CO
InChIInChI=1S/C12H17NO2S/c14-8-11-3-1-2-5-13(11)12(15)7-10-4-6-16-9-10/h4,6,9,11,14H,1-3,5,7-8H2
InChIKeyUEXIXWBCDCHOEG-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.66
Rot. Bonds3

About 1-[2-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone

1-[2-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 43421587) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID43421587
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name1-[2-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCCCC1CO
InChIInChI=1S/C12H17NO2S/c14-8-11-3-1-2-5-13(11)12(15)7-10-4-6-16-9-10/h4,6,9,11,14H,1-3,5,7-8H2
InChIKeyUEXIXWBCDCHOEG-UHFFFAOYSA-N
XLogP1.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[2-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone (CID 43421587) is 1-[2-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCCCC1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is UEXIXWBCDCHOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c14-8-11-3-1-2-5-13(11)12(15)7-10-4-6-16-9-10/h4,6,9,11,14H,1-3,5,7-8H2.
What are the key properties of 1-[2-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
1-[2-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 239.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)piperidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 43421587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).