(5-bromothiophen-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

C11H14BrNO2S — CID 43421060

IUPAC(5-bromothiophen-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1csc(Br)c1)N1CCCCC1CO
InChIInChI=1S/C11H14BrNO2S/c12-10-5-8(7-16-10)11(15)13-4-2-1-3-9(13)6-14/h5,7,9,14H,1-4,6H2
InChIKeyARCNUYDEAPIYHR-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.50
Rot. Bonds2

About (5-bromothiophen-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

(5-bromothiophen-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 43421060) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID43421060
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name(5-bromothiophen-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1csc(Br)c1)N1CCCCC1CO
InChIInChI=1S/C11H14BrNO2S/c12-10-5-8(7-16-10)11(15)13-4-2-1-3-9(13)6-14/h5,7,9,14H,1-4,6H2
InChIKeyARCNUYDEAPIYHR-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-bromothiophen-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (CID 43421060) is (5-bromothiophen-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromothiophen-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromothiophen-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1csc(Br)c1)N1CCCCC1CO.
What is the InChIKey of (5-bromothiophen-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is ARCNUYDEAPIYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c12-10-5-8(7-16-10)11(15)13-4-2-1-3-9(13)6-14/h5,7,9,14H,1-4,6H2.
What are the key properties of (5-bromothiophen-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
(5-bromothiophen-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 304.21 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 43421060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).