2-(3-hydroxy-1-methylpiperidin-3-yl)thiophene-3-carboxylic acid

C11H15NO3S — CID 107432478

IUPAC2-(3-hydroxy-1-methylpiperidin-3-yl)thiophene-3-carboxylic acid
SMILESCN1CCCC(O)(c2sccc2C(=O)O)C1
InChIInChI=1S/C11H15NO3S/c1-12-5-2-4-11(15,7-12)9-8(10(13)14)3-6-16-9/h3,6,15H,2,4-5,7H2,1H3,(H,13,14)
InChIKeyQFLSVIVXVNGVBB-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.36
Rot. Bonds2

About 2-(3-hydroxy-1-methylpiperidin-3-yl)thiophene-3-carboxylic acid

2-(3-hydroxy-1-methylpiperidin-3-yl)thiophene-3-carboxylic acid (PubChem CID 107432478) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-(3-hydroxy-1-methylpiperidin-3-yl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-hydroxy-1-methylpiperidin-3-yl)thiophene-3-carboxylic acid
PubChem CID107432478
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name2-(3-hydroxy-1-methylpiperidin-3-yl)thiophene-3-carboxylic acid
SMILESCN1CCCC(O)(c2sccc2C(=O)O)C1
InChIInChI=1S/C11H15NO3S/c1-12-5-2-4-11(15,7-12)9-8(10(13)14)3-6-16-9/h3,6,15H,2,4-5,7H2,1H3,(H,13,14)
InChIKeyQFLSVIVXVNGVBB-UHFFFAOYSA-N
XLogP1.36
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-4,5,6,7-tetrahydro-thieno[3,2-c]pyridine-2-carboxylic acid
CID 19622690
5-(1-(Tert-butoxycarbonyl)piperidin-4-yl)thiophene-3-carboxylic acid
CID 59542480
3-(4-Carboxy-thiophen-2-yl)-piperidine-1-carboxylic acid tert-butyl ester
CID 59542569
5-pentyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
CID 67820253
5,7,7-Trimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxylic acid
CID 70791257
5-(1-Methylpiperidin-4-yl)thiophene-2-carboxylic acid
CID 83823356
2-(1-Benzyl-3-hydroxypiperidin-3-yl)thiophene-3-carboxylic acid
CID 141863261
1-Methylspiro[piperidine-3,4'-thieno[2,3-c]furan]-6'-one
CID 141863320
3-(1-Benzyl-3-hydroxypiperidin-3-yl)thiophene-2-carboxylic acid
CID 141863362
3-(1-Benzyl-3-hydroxypiperidin-3-yl)thiophene-2-carboxylic acid;ethane
CID 141863383
3-(4-Carboxythiophen-2-yl)piperidine-1-carboxylic acid
CID 143816774
3-(1-Methylpiperidin-4-yl)thiophene-2-carboxylic acid
CID 159578237

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-1-methylpiperidin-3-yl)thiophene-3-carboxylic acid?
The IUPAC name of 2-(3-hydroxy-1-methylpiperidin-3-yl)thiophene-3-carboxylic acid (CID 107432478) is 2-(3-hydroxy-1-methylpiperidin-3-yl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(3-hydroxy-1-methylpiperidin-3-yl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(3-hydroxy-1-methylpiperidin-3-yl)thiophene-3-carboxylic acid is CN1CCCC(O)(c2sccc2C(=O)O)C1.
What is the InChIKey of 2-(3-hydroxy-1-methylpiperidin-3-yl)thiophene-3-carboxylic acid?
The InChIKey is QFLSVIVXVNGVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-12-5-2-4-11(15,7-12)9-8(10(13)14)3-6-16-9/h3,6,15H,2,4-5,7H2,1H3,(H,13,14).
What are the key properties of 2-(3-hydroxy-1-methylpiperidin-3-yl)thiophene-3-carboxylic acid?
2-(3-hydroxy-1-methylpiperidin-3-yl)thiophene-3-carboxylic acid has a molecular weight of 241.31 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-1-methylpiperidin-3-yl)thiophene-3-carboxylic acid is sourced from PubChem (CID 107432478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).