4-methyl-1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid

C14H18F3N3O2 — CID 122559486

IUPAC4-methyl-1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid
SMILESCc1nc(C(F)(F)F)ncc1CN1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C14H18F3N3O2/c1-9-10(7-18-11(19-9)14(15,16)17)8-20-5-3-13(2,4-6-20)12(21)22/h7H,3-6,8H2,1-2H3,(H,21,22)
InChIKeyLYCTUCHGCPWGKF-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.49
Rot. Bonds3

About 4-methyl-1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid

4-methyl-1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 122559486) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 4-methyl-1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid
PubChem CID122559486
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC Name4-methyl-1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid
SMILESCc1nc(C(F)(F)F)ncc1CN1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C14H18F3N3O2/c1-9-10(7-18-11(19-9)14(15,16)17)8-20-5-3-13(2,4-6-20)12(21)22/h7H,3-6,8H2,1-2H3,(H,21,22)
InChIKeyLYCTUCHGCPWGKF-UHFFFAOYSA-N
XLogP2.49
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]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-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic Acid
CID 2777798
1-(4-Methylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 23607535
1-[6-(Trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 75466422
3,3-Dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 121305954
3,3-Difluoro-1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid
CID 135382224
1-[4-(Difluoromethyl)-5-fluoropyrimidin-2-yl]piperidine-4-carboxylic acid
CID 135382266
3-Fluoro-1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid
CID 135382442
4-(Difluoromethyl)-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 142476037
(3S)-3-fluoro-1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid
CID 142476065
(3S,4R)-3-fluoro-1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid
CID 153465360
(3S)-3-fluoro-4-methyl-1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 158693834
1-(4-Cyano-5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 162376415

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid (CID 122559486) is 4-methyl-1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid is Cc1nc(C(F)(F)F)ncc1CN1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is LYCTUCHGCPWGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c1-9-10(7-18-11(19-9)14(15,16)17)8-20-5-3-13(2,4-6-20)12(21)22/h7H,3-6,8H2,1-2H3,(H,21,22).
What are the key properties of 4-methyl-1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid?
4-methyl-1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 317.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122559486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).