2-thiophen-3-ylpiperidine-1-carboxylic acid

C10H13NO2S — CID 175312719

IUPAC2-thiophen-3-ylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCCCC1c1ccsc1
InChIInChI=1S/C10H13NO2S/c12-10(13)11-5-2-1-3-9(11)8-4-6-14-7-8/h4,6-7,9H,1-3,5H2,(H,12,13)
InChIKeySFSPSSBCONUVOI-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.95
Rot. Bonds1

About 2-thiophen-3-ylpiperidine-1-carboxylic acid

2-thiophen-3-ylpiperidine-1-carboxylic acid (PubChem CID 175312719) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-thiophen-3-ylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-thiophen-3-ylpiperidine-1-carboxylic acid
PubChem CID175312719
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2-thiophen-3-ylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCCCC1c1ccsc1
InChIInChI=1S/C10H13NO2S/c12-10(13)11-5-2-1-3-9(11)8-4-6-14-7-8/h4,6-7,9H,1-3,5H2,(H,12,13)
InChIKeySFSPSSBCONUVOI-UHFFFAOYSA-N
XLogP2.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid
CID 138556108
2-(2-Thiophen-3-ylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 174421887
7-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid
CID 175596644
1,1-Dimethyl-2-thiophen-3-ylpiperidin-1-ium chloride
CID 13810978
methyl 2-thiophen-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 102437819
3-Thiophen-3-ylpiperazine-1-carboxylic acid
CID 19763573
4-(Thiophen-3-ylmethyl)piperidine-1-carboxylic acid
CID 21100687
6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid
CID 21325969
2-(2-Thiophen-3-ylpiperidin-1-yl)acetic acid
CID 53865167
1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 56606328
1-thiophen-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 56623995
(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidine-1-carboxylic acid
CID 57207040

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-ylpiperidine-1-carboxylic acid?
The IUPAC name of 2-thiophen-3-ylpiperidine-1-carboxylic acid (CID 175312719) is 2-thiophen-3-ylpiperidine-1-carboxylic acid.
What is the SMILES notation for 2-thiophen-3-ylpiperidine-1-carboxylic acid?
The canonical SMILES for 2-thiophen-3-ylpiperidine-1-carboxylic acid is O=C(O)N1CCCCC1c1ccsc1.
What is the InChIKey of 2-thiophen-3-ylpiperidine-1-carboxylic acid?
The InChIKey is SFSPSSBCONUVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-10(13)11-5-2-1-3-9(11)8-4-6-14-7-8/h4,6-7,9H,1-3,5H2,(H,12,13).
What are the key properties of 2-thiophen-3-ylpiperidine-1-carboxylic acid?
2-thiophen-3-ylpiperidine-1-carboxylic acid has a molecular weight of 211.29 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-ylpiperidine-1-carboxylic acid is sourced from PubChem (CID 175312719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).