1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid

C11H12F3N3O2 — CID 75466422

IUPAC1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)8-5-9(16-6-15-8)17-3-1-7(2-4-17)10(18)19/h5-7H,1-4H2,(H,18,19)
InChIKeyXXZOBYZKSNDMMO-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.80
Rot. Bonds2

About 1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid

1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid (PubChem CID 75466422) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid
PubChem CID75466422
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)8-5-9(16-6-15-8)17-3-1-7(2-4-17)10(18)19/h5-7H,1-4H2,(H,18,19)
InChIKeyXXZOBYZKSNDMMO-UHFFFAOYSA-N
XLogP1.80
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-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

Related Compounds

1-(4,6-Dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 655810
1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic Acid
CID 2777798
1-(4-Methylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 23607535
3-[2-[(2R)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 171392622
[1-[4-(Dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 60504432
1-[2-(Trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 43829379
2-[4-Hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetic acid
CID 67365463
3-[4-(Trifluoromethyl)pyrimidin-2-yl]propanoic acid
CID 71301531
Ethyl 1-(5-fluoro-6-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 103634678
Ethyl 1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 118020322
3-Amino-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 123962301
Pyrrolidin-1-yl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanone
CID 126614231

Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid (CID 75466422) is 1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid is O=C(O)C1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The InChIKey is XXZOBYZKSNDMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c12-11(13,14)8-5-9(16-6-15-8)17-3-1-7(2-4-17)10(18)19/h5-7H,1-4H2,(H,18,19).
What are the key properties of 1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid?
1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid has a molecular weight of 275.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 75466422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).