4-methyl-1-pyridin-4-ylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid

C14H17F3N2O4 — CID 68594399

IUPAC4-methyl-1-pyridin-4-ylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCC1(C(=O)O)CCN(c2ccncc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H16N2O2.C2HF3O2/c1-12(11(15)16)4-8-14(9-5-12)10-2-6-13-7-3-10;3-2(4,5)1(6)7/h2-3,6-7H,4-5,8-9H2,1H3,(H,15,16);(H,6,7)
InChIKeyWTOVSLBOTGUUKV-UHFFFAOYSA-N
MW334.29 g/mol
LogP2.41
Rot. Bonds2

About 4-methyl-1-pyridin-4-ylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid

4-methyl-1-pyridin-4-ylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 68594399) has the molecular formula C14H17F3N2O4 and a molecular weight of 334.29 g/mol. Its IUPAC name is 4-methyl-1-pyridin-4-ylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-methyl-1-pyridin-4-ylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID68594399
Molecular FormulaC14H17F3N2O4
Molecular Weight334.29 g/mol
Exact Mass334.11
IUPAC Name4-methyl-1-pyridin-4-ylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCC1(C(=O)O)CCN(c2ccncc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H16N2O2.C2HF3O2/c1-12(11(15)16)4-8-14(9-5-12)10-2-6-13-7-3-10;3-2(4,5)1(6)7/h2-3,6-7H,4-5,8-9H2,1H3,(H,15,16);(H,6,7)
InChIKeyWTOVSLBOTGUUKV-UHFFFAOYSA-N
XLogP2.41
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-1-pyridin-4-ylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic 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 4-methyl-1-pyridin-4-ylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-methyl-1-pyridin-4-ylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid (CID 68594399) is 4-methyl-1-pyridin-4-ylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-methyl-1-pyridin-4-ylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-methyl-1-pyridin-4-ylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid is CC1(C(=O)O)CCN(c2ccncc2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methyl-1-pyridin-4-ylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is WTOVSLBOTGUUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.C2HF3O2/c1-12(11(15)16)4-8-14(9-5-12)10-2-6-13-7-3-10;3-2(4,5)1(6)7/h2-3,6-7H,4-5,8-9H2,1H3,(H,15,16);(H,6,7).
What are the key properties of 4-methyl-1-pyridin-4-ylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid?
4-methyl-1-pyridin-4-ylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 334.29 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pyridin-4-ylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68594399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).