(3S,4S)-4-(trifluoromethyl)piperidine-3-carboxylic acid

C7H10F3NO2 — CID 67216944

IUPAC(3S,4S)-4-(trifluoromethyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CNCC[C@@H]1C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5-1-2-11-3-4(5)6(12)13/h4-5,11H,1-3H2,(H,12,13)/t4-,5+/m1/s1
InChIKeyJVJFBNDXYUQNSE-UHNVWZDZSA-N
MW197.16 g/mol
LogP0.86
Rot. Bonds1

About (3S,4S)-4-(trifluoromethyl)piperidine-3-carboxylic acid

(3S,4S)-4-(trifluoromethyl)piperidine-3-carboxylic acid (PubChem CID 67216944) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is (3S,4S)-4-(trifluoromethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-(trifluoromethyl)piperidine-3-carboxylic acid
PubChem CID67216944
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name(3S,4S)-4-(trifluoromethyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CNCC[C@@H]1C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5-1-2-11-3-4(5)6(12)13/h4-5,11H,1-3H2,(H,12,13)/t4-,5+/m1/s1
InChIKeyJVJFBNDXYUQNSE-UHNVWZDZSA-N
XLogP0.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S,4S)-4-(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(trifluoromethyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-4-(trifluoromethyl)piperidine-3-carboxylic acid (CID 67216944) is (3S,4S)-4-(trifluoromethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-(trifluoromethyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-4-(trifluoromethyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CNCC[C@@H]1C(F)(F)F.
What is the InChIKey of (3S,4S)-4-(trifluoromethyl)piperidine-3-carboxylic acid?
The InChIKey is JVJFBNDXYUQNSE-UHNVWZDZSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)5-1-2-11-3-4(5)6(12)13/h4-5,11H,1-3H2,(H,12,13)/t4-,5+/m1/s1.
What are the key properties of (3S,4S)-4-(trifluoromethyl)piperidine-3-carboxylic acid?
(3S,4S)-4-(trifluoromethyl)piperidine-3-carboxylic acid has a molecular weight of 197.16 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(trifluoromethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 67216944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).