1-(thiophen-2-ylmethyl)piperidine-4-carboxylic acid

C11H15NO2S — CID 3605814

IUPAC1-(thiophen-2-ylmethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cccs2)CC1
InChIInChI=1S/C11H15NO2S/c13-11(14)9-3-5-12(6-4-9)8-10-2-1-7-15-10/h1-2,7,9H,3-6,8H2,(H,13,14)
InChIKeyZXNYZXNHHNYIQC-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.04
Rot. Bonds3

About 1-(thiophen-2-ylmethyl)piperidine-4-carboxylic acid

1-(thiophen-2-ylmethyl)piperidine-4-carboxylic acid (PubChem CID 3605814) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)piperidine-4-carboxylic acid
PubChem CID3605814
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1-(thiophen-2-ylmethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cccs2)CC1
InChIInChI=1S/C11H15NO2S/c13-11(14)9-3-5-12(6-4-9)8-10-2-1-7-15-10/h1-2,7,9H,3-6,8H2,(H,13,14)
InChIKeyZXNYZXNHHNYIQC-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(thiophen-2-ylmethyl)piperidine-4-carboxylic acid (CID 3605814) is 1-(thiophen-2-ylmethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(thiophen-2-ylmethyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2cccs2)CC1.
What is the InChIKey of 1-(thiophen-2-ylmethyl)piperidine-4-carboxylic acid?
The InChIKey is ZXNYZXNHHNYIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-11(14)9-3-5-12(6-4-9)8-10-2-1-7-15-10/h1-2,7,9H,3-6,8H2,(H,13,14).
What are the key properties of 1-(thiophen-2-ylmethyl)piperidine-4-carboxylic acid?
1-(thiophen-2-ylmethyl)piperidine-4-carboxylic acid has a molecular weight of 225.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 3605814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).