1-[2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-2-carboxylic acid

C20H21F3N2O2 — CID 4269127

IUPAC1-[2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(Cc1ccccn1)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)16-9-2-1-8-15(16)18(13-14-7-3-5-11-24-14)25-12-6-4-10-17(25)19(26)27/h1-3,5,7-9,11,17-18H,4,6,10,12-13H2,(H,26,27)
InChIKeyNRCSFYKKMLEEAY-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.32
Rot. Bonds5

About 1-[2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-2-carboxylic acid

1-[2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-2-carboxylic acid (PubChem CID 4269127) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 1-[2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-2-carboxylic acid
PubChem CID4269127
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name1-[2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(Cc1ccccn1)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)16-9-2-1-8-15(16)18(13-14-7-3-5-11-24-14)25-12-6-4-10-17(25)19(26)27/h1-3,5,7-9,11,17-18H,4,6,10,12-13H2,(H,26,27)
InChIKeyNRCSFYKKMLEEAY-UHFFFAOYSA-N
XLogP4.32
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-2-carboxylic acid (CID 4269127) is 1-[2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(Cc1ccccn1)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-[2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-2-carboxylic acid?
The InChIKey is NRCSFYKKMLEEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c21-20(22,23)16-9-2-1-8-15(16)18(13-14-7-3-5-11-24-14)25-12-6-4-10-17(25)19(26)27/h1-3,5,7-9,11,17-18H,4,6,10,12-13H2,(H,26,27).
What are the key properties of 1-[2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-2-carboxylic acid?
1-[2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-2-carboxylic acid has a molecular weight of 378.39 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 4269127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).