4-(thiophen-3-ylmethyl)piperidine-1-carboxylic acid

C11H15NO2S — CID 21100687

IUPAC4-(thiophen-3-ylmethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Cc2ccsc2)CC1
InChIInChI=1S/C11H15NO2S/c13-11(14)12-4-1-9(2-5-12)7-10-3-6-15-8-10/h3,6,8-9H,1-2,4-5,7H2,(H,13,14)
InChIKeyTZWDXBCNPUGFLH-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.68
Rot. Bonds2

About 4-(thiophen-3-ylmethyl)piperidine-1-carboxylic acid

4-(thiophen-3-ylmethyl)piperidine-1-carboxylic acid (PubChem CID 21100687) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-(thiophen-3-ylmethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(thiophen-3-ylmethyl)piperidine-1-carboxylic acid
PubChem CID21100687
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name4-(thiophen-3-ylmethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Cc2ccsc2)CC1
InChIInChI=1S/C11H15NO2S/c13-11(14)12-4-1-9(2-5-12)7-10-3-6-15-8-10/h3,6,8-9H,1-2,4-5,7H2,(H,13,14)
InChIKeyTZWDXBCNPUGFLH-UHFFFAOYSA-N
XLogP2.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(thiophen-3-ylmethyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(thiophen-3-ylmethyl)piperidine-1-carboxylic acid (CID 21100687) is 4-(thiophen-3-ylmethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(thiophen-3-ylmethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(thiophen-3-ylmethyl)piperidine-1-carboxylic acid is O=C(O)N1CCC(Cc2ccsc2)CC1.
What is the InChIKey of 4-(thiophen-3-ylmethyl)piperidine-1-carboxylic acid?
The InChIKey is TZWDXBCNPUGFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-11(14)12-4-1-9(2-5-12)7-10-3-6-15-8-10/h3,6,8-9H,1-2,4-5,7H2,(H,13,14).
What are the key properties of 4-(thiophen-3-ylmethyl)piperidine-1-carboxylic acid?
4-(thiophen-3-ylmethyl)piperidine-1-carboxylic acid has a molecular weight of 225.31 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-3-ylmethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 21100687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).