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

C15H18F3NO3 — CID 122125387

IUPAC5-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(Cc2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C15H18F3NO3/c1-10-5-12(14(20)21)9-19(7-10)8-11-3-2-4-13(6-11)22-15(16,17)18/h2-4,6,10,12H,5,7-9H2,1H3,(H,20,21)
InChIKeyMMCBTBHDHMMLRP-UHFFFAOYSA-N
MW317.31 g/mol
LogP3.13
Rot. Bonds4

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

5-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid (PubChem CID 122125387) has the molecular formula C15H18F3NO3 and a molecular weight of 317.31 g/mol. Its IUPAC name is 5-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid
PubChem CID122125387
Molecular FormulaC15H18F3NO3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC Name5-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(Cc2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C15H18F3NO3/c1-10-5-12(14(20)21)9-19(7-10)8-11-3-2-4-13(6-11)22-15(16,17)18/h2-4,6,10,12H,5,7-9H2,1H3,(H,20,21)
InChIKeyMMCBTBHDHMMLRP-UHFFFAOYSA-N
XLogP3.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-1-[[3-(trifluoromethoxy)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-(cyclohexylmethoxy)phenyl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125440
5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 122121535
1-[(3,4-dibromophenyl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125340
1-[[3-[(4-methoxybenzoyl)amino]phenyl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125504
3-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]benzoic acid
CID 40801162
4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 107104811
5-methyl-1-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]piperidine-3-carboxylic acid
CID 122121265
1-[[2,6-dimethyl-4-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176929926
1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125314
2-[[3-(trifluoromethoxy)phenyl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 139599692
1-[(1-benzylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125500
(3S,4S)-3-hydroxy-4-propyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxylic acid
CID 135117228

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid (CID 122125387) is 5-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(Cc2cccc(OC(F)(F)F)c2)C1.
What is the InChIKey of 5-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid?
The InChIKey is MMCBTBHDHMMLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3/c1-10-5-12(14(20)21)9-19(7-10)8-11-3-2-4-13(6-11)22-15(16,17)18/h2-4,6,10,12H,5,7-9H2,1H3,(H,20,21).
What are the key properties of 5-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid?
5-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid has a molecular weight of 317.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122125387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).