4-(5-methylthiophen-2-yl)piperidine-3-carboxylic acid

C11H15NO2S — CID 118691435

IUPAC4-(5-methylthiophen-2-yl)piperidine-3-carboxylic acid
SMILESCc1ccc(C2CCNCC2C(=O)O)s1
InChIInChI=1S/C11H15NO2S/c1-7-2-3-10(15-7)8-4-5-12-6-9(8)11(13)14/h2-3,8-9,12H,4-6H2,1H3,(H,13,14)
InChIKeyZCEOIGRKBKAVJO-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.83
Rot. Bonds2

About 4-(5-methylthiophen-2-yl)piperidine-3-carboxylic acid

4-(5-methylthiophen-2-yl)piperidine-3-carboxylic acid (PubChem CID 118691435) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-(5-methylthiophen-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(5-methylthiophen-2-yl)piperidine-3-carboxylic acid
PubChem CID118691435
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name4-(5-methylthiophen-2-yl)piperidine-3-carboxylic acid
SMILESCc1ccc(C2CCNCC2C(=O)O)s1
InChIInChI=1S/C11H15NO2S/c1-7-2-3-10(15-7)8-4-5-12-6-9(8)11(13)14/h2-3,8-9,12H,4-6H2,1H3,(H,13,14)
InChIKeyZCEOIGRKBKAVJO-UHFFFAOYSA-N
XLogP1.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of 4-(5-methylthiophen-2-yl)piperidine-3-carboxylic acid (CID 118691435) is 4-(5-methylthiophen-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 4-(5-methylthiophen-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 4-(5-methylthiophen-2-yl)piperidine-3-carboxylic acid is Cc1ccc(C2CCNCC2C(=O)O)s1.
What is the InChIKey of 4-(5-methylthiophen-2-yl)piperidine-3-carboxylic acid?
The InChIKey is ZCEOIGRKBKAVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-7-2-3-10(15-7)8-4-5-12-6-9(8)11(13)14/h2-3,8-9,12H,4-6H2,1H3,(H,13,14).
What are the key properties of 4-(5-methylthiophen-2-yl)piperidine-3-carboxylic acid?
4-(5-methylthiophen-2-yl)piperidine-3-carboxylic acid has a molecular weight of 225.31 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylthiophen-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 118691435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).