4-(2-thiophen-2-ylethyl)piperidine-4-carboxylic acid

C12H17NO2S — CID 63774592

IUPAC4-(2-thiophen-2-ylethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(CCc2cccs2)CCNCC1
InChIInChI=1S/C12H17NO2S/c14-11(15)12(5-7-13-8-6-12)4-3-10-2-1-9-16-10/h1-2,9,13H,3-8H2,(H,14,15)
InChIKeyQSHNHAWXTIJAAE-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.14
Rot. Bonds4

About 4-(2-thiophen-2-ylethyl)piperidine-4-carboxylic acid

4-(2-thiophen-2-ylethyl)piperidine-4-carboxylic acid (PubChem CID 63774592) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-(2-thiophen-2-ylethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-thiophen-2-ylethyl)piperidine-4-carboxylic acid
PubChem CID63774592
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name4-(2-thiophen-2-ylethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(CCc2cccs2)CCNCC1
InChIInChI=1S/C12H17NO2S/c14-11(15)12(5-7-13-8-6-12)4-3-10-2-1-9-16-10/h1-2,9,13H,3-8H2,(H,14,15)
InChIKeyQSHNHAWXTIJAAE-UHFFFAOYSA-N
XLogP2.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63140808
3-(2-thiophen-2-ylethyl)oxolane-3-carboxylic acid
CID 63774395
3-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid
CID 63132024
3-ethyl-1-(2-thiophen-2-ylethyl)cyclohexane-1-carboxylic acid
CID 65402707
4-ethyl-1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylic acid
CID 63124753
3-(2-phenylethyl)pyrrolidine-3-carboxylic acid
CID 79426364
1-(1-hydroxycyclohexyl)-3-thiophen-2-ylpropan-1-one
CID 103449732
4-methyl-1-(thiophen-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 65394284
3-ethyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxylic acid
CID 63134703
4-(methoxymethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 120617087
4-benzylpiperidine-4-carboxylic acid
CID 18365178
1,1-dioxo-3-(thiophen-2-ylmethyl)thiolane-3-carboxylic acid
CID 78991895

Frequently Asked Questions

What is the IUPAC name of 4-(2-thiophen-2-ylethyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(2-thiophen-2-ylethyl)piperidine-4-carboxylic acid (CID 63774592) is 4-(2-thiophen-2-ylethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2-thiophen-2-ylethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(2-thiophen-2-ylethyl)piperidine-4-carboxylic acid is O=C(O)C1(CCc2cccs2)CCNCC1.
What is the InChIKey of 4-(2-thiophen-2-ylethyl)piperidine-4-carboxylic acid?
The InChIKey is QSHNHAWXTIJAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c14-11(15)12(5-7-13-8-6-12)4-3-10-2-1-9-16-10/h1-2,9,13H,3-8H2,(H,14,15).
What are the key properties of 4-(2-thiophen-2-ylethyl)piperidine-4-carboxylic acid?
4-(2-thiophen-2-ylethyl)piperidine-4-carboxylic acid has a molecular weight of 239.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-thiophen-2-ylethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63774592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).