5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid

C15H18F3NO2 — CID 122121535

IUPAC5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H18F3NO2/c1-10-6-12(14(20)21)9-19(7-10)8-11-2-4-13(5-3-11)15(16,17)18/h2-5,10,12H,6-9H2,1H3,(H,20,21)
InChIKeyIYYMQEFSJKYTSI-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.25
Rot. Bonds3

About 5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid

5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid (PubChem CID 122121535) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
PubChem CID122121535
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H18F3NO2/c1-10-6-12(14(20)21)9-19(7-10)8-11-2-4-13(5-3-11)15(16,17)18/h2-5,10,12H,6-9H2,1H3,(H,20,21)
InChIKeyIYYMQEFSJKYTSI-UHFFFAOYSA-N
XLogP3.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-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-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125314
5-methyl-1-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine-3-carboxylic acid
CID 122121289
1-[(3,4-dibromophenyl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125340
5-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 122125387
1-[(1-benzylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125500
5-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid
CID 122125208
5-methyl-1-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-3-carboxylic acid
CID 122121679
5-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid
CID 122125506
2-[5-[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]acetic acid
CID 169221936
1-[(4-butoxy-3-ethoxyphenyl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125528
1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid
CID 3997008
1-[2-[4-(trifluoromethyl)phenyl]propyl]azetidine-3-carboxylic acid
CID 122046781

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid (CID 122121535) is 5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(Cc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid?
The InChIKey is IYYMQEFSJKYTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-10-6-12(14(20)21)9-19(7-10)8-11-2-4-13(5-3-11)15(16,17)18/h2-5,10,12H,6-9H2,1H3,(H,20,21).
What are the key properties of 5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid?
5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid has a molecular weight of 301.31 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122121535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).