1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid

C13H15F3N2O2 — CID 67267468

IUPAC1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
SMILESCc1cc(C(F)(F)F)cc(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C13H15F3N2O2/c1-8-6-10(13(14,15)16)7-11(17-8)18-4-2-9(3-5-18)12(19)20/h6-7,9H,2-5H2,1H3,(H,19,20)
InChIKeyVCOCIENQYZVMSW-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.71
Rot. Bonds2

About 1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid

1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid (PubChem CID 67267468) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
PubChem CID67267468
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
SMILESCc1cc(C(F)(F)F)cc(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C13H15F3N2O2/c1-8-6-10(13(14,15)16)7-11(17-8)18-4-2-9(3-5-18)12(19)20/h6-7,9H,2-5H2,1H3,(H,19,20)
InChIKeyVCOCIENQYZVMSW-UHFFFAOYSA-N
XLogP2.71
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid (CID 67267468) is 1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid is Cc1cc(C(F)(F)F)cc(N2CCC(C(=O)O)CC2)n1.
What is the InChIKey of 1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid?
The InChIKey is VCOCIENQYZVMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-8-6-10(13(14,15)16)7-11(17-8)18-4-2-9(3-5-18)12(19)20/h6-7,9H,2-5H2,1H3,(H,19,20).
What are the key properties of 1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid?
1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid has a molecular weight of 288.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 67267468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).