4-[3-(trifluoromethyl)thiophen-2-yl]piperidine-1-carboxylic acid

C11H12F3NO2S — CID 174663853

IUPAC4-[3-(trifluoromethyl)thiophen-2-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2sccc2C(F)(F)F)CC1
InChIInChI=1S/C11H12F3NO2S/c12-11(13,14)8-3-6-18-9(8)7-1-4-15(5-2-7)10(16)17/h3,6-7H,1-2,4-5H2,(H,16,17)
InChIKeyTUHSOGACUZGJIH-UHFFFAOYSA-N
MW279.28 g/mol
LogP3.62
Rot. Bonds1

About 4-[3-(trifluoromethyl)thiophen-2-yl]piperidine-1-carboxylic acid

4-[3-(trifluoromethyl)thiophen-2-yl]piperidine-1-carboxylic acid (PubChem CID 174663853) has the molecular formula C11H12F3NO2S and a molecular weight of 279.28 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)thiophen-2-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)thiophen-2-yl]piperidine-1-carboxylic acid
PubChem CID174663853
Molecular FormulaC11H12F3NO2S
Molecular Weight279.28 g/mol
Exact Mass279.05
IUPAC Name4-[3-(trifluoromethyl)thiophen-2-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2sccc2C(F)(F)F)CC1
InChIInChI=1S/C11H12F3NO2S/c12-11(13,14)8-3-6-18-9(8)7-1-4-15(5-2-7)10(16)17/h3,6-7H,1-2,4-5H2,(H,16,17)
InChIKeyTUHSOGACUZGJIH-UHFFFAOYSA-N
XLogP3.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(Trifluoromethyl)phenyl]sulfanylpiperidine-1-carboxylic acid
CID 10688636
Thiophen-3-ylmethyl-[(2,4,5-trifluorophenyl)methyl]carbamic acid
CID 68903867
4-[[2-(Difluoromethyl)phenyl]sulfanylmethyl]piperidine-1-carboxylic acid
CID 122424443
4-[2-(Trifluoromethyl)phenyl]sulfanylpiperidine-1-carboxylic acid
CID 151225538
Tert-butyl 4,4-difluoro-3-thiophen-2-ylpiperidine-1-carboxylate
CID 166519232
Methyl-[4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexyl]carbamic acid
CID 174675613
4-[5-(trifluoromethyl)thiophen-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 176274821
4-Benzyl-1-(2-thiophen-2-ylethyl)piperidine;2,2,2-trifluoroacetic acid
CID 154887526
4-[1-[3-(Trifluoromethyl)phenyl]sulfanylethyl]piperidine-1-carboxylic acid
CID 162568334
4-(Thiophen-3-ylmethyl)piperidine-1-carboxylic acid
CID 21100687
6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid
CID 21325969
4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149838

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)thiophen-2-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[3-(trifluoromethyl)thiophen-2-yl]piperidine-1-carboxylic acid (CID 174663853) is 4-[3-(trifluoromethyl)thiophen-2-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[3-(trifluoromethyl)thiophen-2-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[3-(trifluoromethyl)thiophen-2-yl]piperidine-1-carboxylic acid is O=C(O)N1CCC(c2sccc2C(F)(F)F)CC1.
What is the InChIKey of 4-[3-(trifluoromethyl)thiophen-2-yl]piperidine-1-carboxylic acid?
The InChIKey is TUHSOGACUZGJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2S/c12-11(13,14)8-3-6-18-9(8)7-1-4-15(5-2-7)10(16)17/h3,6-7H,1-2,4-5H2,(H,16,17).
What are the key properties of 4-[3-(trifluoromethyl)thiophen-2-yl]piperidine-1-carboxylic acid?
4-[3-(trifluoromethyl)thiophen-2-yl]piperidine-1-carboxylic acid has a molecular weight of 279.28 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)thiophen-2-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 174663853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).