(4-bromothiophen-2-yl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone

C12H16BrNO2S — CID 115276203

IUPAC(4-bromothiophen-2-yl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCC(O)CN1C(=O)c1cc(Br)cs1
InChIInChI=1S/C12H16BrNO2S/c1-12(2)4-3-9(15)6-14(12)11(16)10-5-8(13)7-17-10/h5,7,9,15H,3-4,6H2,1-2H3
InChIKeyFNBWYHDLONJVAP-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.89
Rot. Bonds1

About (4-bromothiophen-2-yl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone

(4-bromothiophen-2-yl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone (PubChem CID 115276203) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
PubChem CID115276203
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name(4-bromothiophen-2-yl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCC(O)CN1C(=O)c1cc(Br)cs1
InChIInChI=1S/C12H16BrNO2S/c1-12(2)4-3-9(15)6-14(12)11(16)10-5-8(13)7-17-10/h5,7,9,15H,3-4,6H2,1-2H3
InChIKeyFNBWYHDLONJVAP-UHFFFAOYSA-N
XLogP2.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-bromothiophen-2-yl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (4-bromothiophen-2-yl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone (CID 115276203) is (4-bromothiophen-2-yl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-bromothiophen-2-yl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-bromothiophen-2-yl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone is CC1(C)CCC(O)CN1C(=O)c1cc(Br)cs1.
What is the InChIKey of (4-bromothiophen-2-yl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone?
The InChIKey is FNBWYHDLONJVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-12(2)4-3-9(15)6-14(12)11(16)10-5-8(13)7-17-10/h5,7,9,15H,3-4,6H2,1-2H3.
What are the key properties of (4-bromothiophen-2-yl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone?
(4-bromothiophen-2-yl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone has a molecular weight of 318.24 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 115276203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).