(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

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Related Compounds

(5-hydroxy-2,2-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 115269399
(4-ethylphenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
CID 115276194
(5-hydroxy-2,2-dimethylpiperidin-1-yl)-(2-methylphenyl)methanone
CID 115269397
(4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanone
CID 82294562
(4-aminopiperidin-1-yl)-(4-bromothiophen-2-yl)methanone
CID 83558896
[(3S)-3-aminopyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone;hydrochloride
CID 119934163
1-(4-bromothiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 56820615
azepan-1-yl-(4-bromothiophen-2-yl)methanone
CID 2225278
(4-bromothiophen-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538654
2-(4-fluorophenyl)-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115269412
2-(2-fluorophenyl)-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115269420
[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(4-bromothiophen-2-yl)methanone
CID 95589911

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).