1-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid

C14H16F3N3O2 — CID 19616706

IUPAC1-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2nc(C3CC3)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H16F3N3O2/c15-14(16,17)11-7-10(8-1-2-8)18-13(19-11)20-5-3-9(4-6-20)12(21)22/h7-9H,1-6H2,(H,21,22)
InChIKeyJHEKKRPOWLXKHW-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.67
Rot. Bonds3

About 1-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid

1-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid (PubChem CID 19616706) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.30 g/mol. Its IUPAC name is 1-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid
PubChem CID19616706
Molecular FormulaC14H16F3N3O2
Molecular Weight315.30 g/mol
Exact Mass315.12
IUPAC Name1-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2nc(C3CC3)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H16F3N3O2/c15-14(16,17)11-7-10(8-1-2-8)18-13(19-11)20-5-3-9(4-6-20)12(21)22/h7-9H,1-6H2,(H,21,22)
InChIKeyJHEKKRPOWLXKHW-UHFFFAOYSA-N
XLogP2.67
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-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

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid (CID 19616706) is 1-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid is O=C(O)C1CCN(c2nc(C3CC3)cc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid?
The InChIKey is JHEKKRPOWLXKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c15-14(16,17)11-7-10(8-1-2-8)18-13(19-11)20-5-3-9(4-6-20)12(21)22/h7-9H,1-6H2,(H,21,22).
What are the key properties of 1-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid?
1-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid has a molecular weight of 315.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 19616706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).