1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid

C12H14F3N3O2 — CID 19616666

IUPAC1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid
SMILESCc1cc(C(F)(F)F)nc(N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C12H14F3N3O2/c1-7-5-9(12(13,14)15)17-11(16-7)18-4-2-3-8(6-18)10(19)20/h5,8H,2-4,6H2,1H3,(H,19,20)
InChIKeyJLQPCZURQYDUQL-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.10
Rot. Bonds2

About 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid

1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid (PubChem CID 19616666) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid
PubChem CID19616666
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid
SMILESCc1cc(C(F)(F)F)nc(N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C12H14F3N3O2/c1-7-5-9(12(13,14)15)17-11(16-7)18-4-2-3-8(6-18)10(19)20/h5,8H,2-4,6H2,1H3,(H,19,20)
InChIKeyJLQPCZURQYDUQL-UHFFFAOYSA-N
XLogP2.10
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,6-Dimethylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 655810
1-(4,6-Dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 650474
1-[4-Cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]proline
CID 19614619
1-(6-Cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 91623620
3-Hydroxy-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 128980921
2-[1-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetic acid
CID 175435430
2-[1-[2-(2-Methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetic acid
CID 175435433
2-[1-[2-(2-Methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanoic acid
CID 175435582
Methyl 2-[1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetate
CID 175435585
1-[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate
CID 7017858
1-[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 7017859
Ethyl 1-(4-methyl-6-(trifluoromethyl)pyrimidin-2-yl)piperidine-4-carboxylate
CID 7017860

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid (CID 19616666) is 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid is Cc1cc(C(F)(F)F)nc(N2CCCC(C(=O)O)C2)n1.
What is the InChIKey of 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid?
The InChIKey is JLQPCZURQYDUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c1-7-5-9(12(13,14)15)17-11(16-7)18-4-2-3-8(6-18)10(19)20/h5,8H,2-4,6H2,1H3,(H,19,20).
What are the key properties of 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid?
1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid has a molecular weight of 289.26 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 19616666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).