(3R)-3-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid

C13H14F3NO3 — CID 175134415

IUPAC(3R)-3-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@@H](Oc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C13H14F3NO3/c14-13(15,16)9-3-5-10(6-4-9)20-11-2-1-7-17(8-11)12(18)19/h3-6,11H,1-2,7-8H2,(H,18,19)/t11-/m1/s1
InChIKeyHJJRHGJUMJBJMC-LLVKDONJSA-N
MW289.25 g/mol
LogP3.23
Rot. Bonds2

About (3R)-3-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid

(3R)-3-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid (PubChem CID 175134415) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is (3R)-3-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid
PubChem CID175134415
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC Name(3R)-3-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@@H](Oc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C13H14F3NO3/c14-13(15,16)9-3-5-10(6-4-9)20-11-2-1-7-17(8-11)12(18)19/h3-6,11H,1-2,7-8H2,(H,18,19)/t11-/m1/s1
InChIKeyHJJRHGJUMJBJMC-LLVKDONJSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 175135309
3-(4-methylphenoxy)piperidine-1-carboxylic acid
CID 175309673
3-pyridin-4-yloxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 122255985
[4-(3-hydroxyoxetan-3-yl)phenyl]-[3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 164533378
(3S)-3-[4-(trifluoromethyl)phenyl]sulfonyloxypyrrolidine-1-carboxylic acid
CID 87429333
tert-butyl 3-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxylate
CID 24902462
cyclopropyl-[(6R)-6-[4-(trifluoromethyl)phenoxy]-1,4-oxazepan-4-yl]methanone
CID 75536872
3-[2-(hydroxymethyl)-4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 175135334
4-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-3-yl]oxypyridine-2-carboxamide
CID 122257031
methyl 3-phenoxypiperidine-1-carboxylate
CID 110605413
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 122161002
[3-(4-methoxyphenoxy)azetidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 134791197

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid?
The IUPAC name of (3R)-3-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid (CID 175134415) is (3R)-3-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid is O=C(O)N1CCC[C@@H](Oc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of (3R)-3-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid?
The InChIKey is HJJRHGJUMJBJMC-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14F3NO3/c14-13(15,16)9-3-5-10(6-4-9)20-11-2-1-7-17(8-11)12(18)19/h3-6,11H,1-2,7-8H2,(H,18,19)/t11-/m1/s1.
What are the key properties of (3R)-3-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid?
(3R)-3-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid has a molecular weight of 289.25 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 175134415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).