2-thiophen-2-ylpiperidine-3-carboxylic acid

C10H13NO2S — CID 112716942

IUPAC2-thiophen-2-ylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CCCNC1c1cccs1
InChIInChI=1S/C10H13NO2S/c12-10(13)7-3-1-5-11-9(7)8-4-2-6-14-8/h2,4,6-7,9,11H,1,3,5H2,(H,12,13)
InChIKeyKPXCGUUEDLDKJZ-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.87
Rot. Bonds2

About 2-thiophen-2-ylpiperidine-3-carboxylic acid

2-thiophen-2-ylpiperidine-3-carboxylic acid (PubChem CID 112716942) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-thiophen-2-ylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name2-thiophen-2-ylpiperidine-3-carboxylic acid
PubChem CID112716942
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2-thiophen-2-ylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CCCNC1c1cccs1
InChIInChI=1S/C10H13NO2S/c12-10(13)7-3-1-5-11-9(7)8-4-2-6-14-8/h2,4,6-7,9,11H,1,3,5H2,(H,12,13)
InChIKeyKPXCGUUEDLDKJZ-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylpiperidine-3-carboxylic acid?
The IUPAC name of 2-thiophen-2-ylpiperidine-3-carboxylic acid (CID 112716942) is 2-thiophen-2-ylpiperidine-3-carboxylic acid.
What is the SMILES notation for 2-thiophen-2-ylpiperidine-3-carboxylic acid?
The canonical SMILES for 2-thiophen-2-ylpiperidine-3-carboxylic acid is O=C(O)C1CCCNC1c1cccs1.
What is the InChIKey of 2-thiophen-2-ylpiperidine-3-carboxylic acid?
The InChIKey is KPXCGUUEDLDKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-10(13)7-3-1-5-11-9(7)8-4-2-6-14-8/h2,4,6-7,9,11H,1,3,5H2,(H,12,13).
What are the key properties of 2-thiophen-2-ylpiperidine-3-carboxylic acid?
2-thiophen-2-ylpiperidine-3-carboxylic acid has a molecular weight of 211.29 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylpiperidine-3-carboxylic acid is sourced from PubChem (CID 112716942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).