(5-bromothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone

C10H12BrNO2S — CID 43391818

IUPAC(5-bromothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(Br)s1)N1CCC(O)CC1
InChIInChI=1S/C10H12BrNO2S/c11-9-2-1-8(15-9)10(14)12-5-3-7(13)4-6-12/h1-2,7,13H,3-6H2
InChIKeyKNXFUCWJSGZYRI-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.11
Rot. Bonds1

About (5-bromothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone

(5-bromothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 43391818) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID43391818
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name(5-bromothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(Br)s1)N1CCC(O)CC1
InChIInChI=1S/C10H12BrNO2S/c11-9-2-1-8(15-9)10(14)12-5-3-7(13)4-6-12/h1-2,7,13H,3-6H2
InChIKeyKNXFUCWJSGZYRI-UHFFFAOYSA-N
XLogP2.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (5-bromothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone (CID 43391818) is (5-bromothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone is O=C(c1ccc(Br)s1)N1CCC(O)CC1.
What is the InChIKey of (5-bromothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is KNXFUCWJSGZYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c11-9-2-1-8(15-9)10(14)12-5-3-7(13)4-6-12/h1-2,7,13H,3-6H2.
What are the key properties of (5-bromothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
(5-bromothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 290.18 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 43391818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).