1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid

C12H13F3N2O2 — CID 26986141

IUPAC1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)9-2-1-3-10(16-9)17-6-4-8(5-7-17)11(18)19/h1-3,8H,4-7H2,(H,18,19)
InChIKeyBZPFAFUAKAKTFP-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.40
Rot. Bonds2

About 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid

1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid (PubChem CID 26986141) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
PubChem CID26986141
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)9-2-1-3-10(16-9)17-6-4-8(5-7-17)11(18)19/h1-3,8H,4-7H2,(H,18,19)
InChIKeyBZPFAFUAKAKTFP-UHFFFAOYSA-N
XLogP2.40
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid (CID 26986141) is 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(c2cccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid?
The InChIKey is BZPFAFUAKAKTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)9-2-1-3-10(16-9)17-6-4-8(5-7-17)11(18)19/h1-3,8H,4-7H2,(H,18,19).
What are the key properties of 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid?
1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid has a molecular weight of 274.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 26986141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).