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

C14H16F3NO2 — CID 24904811

IUPAC(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)12-5-1-3-10(7-12)8-18-6-2-4-11(9-18)13(19)20/h1,3,5,7,11H,2,4,6,8-9H2,(H,19,20)/t11-/m1/s1
InChIKeyAKGCHLGFBXRHMP-LLVKDONJSA-N
MW287.28 g/mol
LogP3.00
Rot. Bonds3

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

(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid (PubChem CID 24904811) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is (3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
PubChem CID24904811
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)12-5-1-3-10(7-12)8-18-6-2-4-11(9-18)13(19)20/h1,3,5,7,11H,2,4,6,8-9H2,(H,19,20)/t11-/m1/s1
InChIKeyAKGCHLGFBXRHMP-LLVKDONJSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-1-[[3-(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

(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 30980962
(4,4-difluoropiperidin-1-yl)-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanone
CID 163354854
1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
CID 5180021
1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 24904650
3-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 63386578
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 24904810
1-[[3-(cyanomethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 82135611
(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 67172686
[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 38104074
cyclohexyl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19329676
(3S)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 94373729
(3S)-3-pyrrolidin-1-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 52878093

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid (CID 24904811) is (3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid?
The InChIKey is AKGCHLGFBXRHMP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-14(16,17)12-5-1-3-10(7-12)8-18-6-2-4-11(9-18)13(19)20/h1,3,5,7,11H,2,4,6,8-9H2,(H,19,20)/t11-/m1/s1.
What are the key properties of (3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid?
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid has a molecular weight of 287.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 24904811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).