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

C12H13F3N2O2 — CID 11288815

IUPAC1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)9-2-1-5-16-10(9)17-6-3-8(4-7-17)11(18)19/h1-2,5,8H,3-4,6-7H2,(H,18,19)
InChIKeyBGNKYDHEZJLXEU-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.40
Rot. Bonds2

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

1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid (PubChem CID 11288815) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
PubChem CID11288815
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)9-2-1-5-16-10(9)17-6-3-8(4-7-17)11(18)19/h1-2,5,8H,3-4,6-7H2,(H,18,19)
InChIKeyBGNKYDHEZJLXEU-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-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid (CID 11288815) is 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid?
The InChIKey is BGNKYDHEZJLXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)9-2-1-5-16-10(9)17-6-3-8(4-7-17)11(18)19/h1-2,5,8H,3-4,6-7H2,(H,18,19).
What are the key properties of 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid?
1-[3-(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-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 11288815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).