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

C11H12F3N3O2 — CID 22047724

IUPAC4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)8-2-1-3-15-9(8)16-4-6-17(7-5-16)10(18)19/h1-3H,4-7H2,(H,18,19)
InChIKeyAZIPPWRWQSPDCA-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.90
Rot. Bonds1

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

4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylic acid (PubChem CID 22047724) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylic acid
PubChem CID22047724
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)8-2-1-3-15-9(8)16-4-6-17(7-5-16)10(18)19/h1-3H,4-7H2,(H,18,19)
InChIKeyAZIPPWRWQSPDCA-UHFFFAOYSA-N
XLogP1.90
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylic acid (CID 22047724) is 4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylic acid is O=C(O)N1CCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of 4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylic acid?
The InChIKey is AZIPPWRWQSPDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c12-11(13,14)8-2-1-3-15-9(8)16-4-6-17(7-5-16)10(18)19/h1-3H,4-7H2,(H,18,19).
What are the key properties of 4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylic acid?
4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylic acid has a molecular weight of 275.23 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 22047724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).