2-[2-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid

C13H14F3NO3 — CID 68836477

IUPAC2-[2-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCCC1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3NO3/c14-13(15,16)9-5-1-2-6-10(9)20-11-7-3-4-8-17(11)12(18)19/h1-2,5-6,11H,3-4,7-8H2,(H,18,19)
InChIKeyZUXOXEKAYSWVHI-UHFFFAOYSA-N
MW289.25 g/mol
LogP3.57
Rot. Bonds2

About 2-[2-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid

2-[2-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid (PubChem CID 68836477) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid
PubChem CID68836477
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC Name2-[2-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCCC1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3NO3/c14-13(15,16)9-5-1-2-6-10(9)20-11-7-3-4-8-17(11)12(18)19/h1-2,5-6,11H,3-4,7-8H2,(H,18,19)
InChIKeyZUXOXEKAYSWVHI-UHFFFAOYSA-N
XLogP3.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(trifluoromethyl)phenoxy]piperidine-1-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

4-Methoxy-4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 121418575
Tert-butyl 3-[(4-fluorophenoxy)methyl]piperidine-1-carboxylate
CID 67154710
Tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
CID 58808104
1-[5-(2-Methylphenoxy)pentyl]piperidine
CID 2057429
tert-butyl (S)-(3-(4-fluoro-2-methylphenoxy)-3-phenylpropyl)(methyl)carbamate
CID 156599465
Tert-butyl 3-(2-(trifluoromethoxy)phenyl)piperidine-1-carboxylate
CID 171661749
2-(Trifluoromethyl)phenyl ethyl(methyl)carbamate
CID 171662520
Methylphenyl piperidine-1-carboxylate
CID 18544321
Tert-butyl 4-(2-cyclopropyloxyphenyl)piperidine-1-carboxylate
CID 58712713
3-[(2-Methylphenoxy)methyl]-1-(3,3,3-trifluoropropyl)piperidine
CID 56704922
2-[2-hydroxyethyl-[[(2S,3R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methyl]amino]ethanol
CID 164643351
Ethyl 4-[[4-(5-fluoro-2-methoxyphenyl)piperidin-1-yl]methyl]piperidine-1-carboxylate
CID 11625071

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid?
The IUPAC name of 2-[2-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid (CID 68836477) is 2-[2-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid?
The canonical SMILES for 2-[2-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid is O=C(O)N1CCCCC1Oc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid?
The InChIKey is ZUXOXEKAYSWVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO3/c14-13(15,16)9-5-1-2-6-10(9)20-11-7-3-4-8-17(11)12(18)19/h1-2,5-6,11H,3-4,7-8H2,(H,18,19).
What are the key properties of 2-[2-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid?
2-[2-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid has a molecular weight of 289.25 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 68836477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).