4-hydroxy-1-[3-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid

C14H14F3NO5 — CID 120528203

IUPAC4-hydroxy-1-[3-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid
SMILESO=C(c1cccc(OC(F)(F)F)c1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C14H14F3NO5/c15-14(16,17)23-10-3-1-2-9(8-10)11(19)18-6-4-13(22,5-7-18)12(20)21/h1-3,8,22H,4-7H2,(H,20,21)
InChIKeyXRHVGYPKMBQARN-UHFFFAOYSA-N
MW333.26 g/mol
LogP1.64
Rot. Bonds3

About 4-hydroxy-1-[3-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid

4-hydroxy-1-[3-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid (PubChem CID 120528203) has the molecular formula C14H14F3NO5 and a molecular weight of 333.26 g/mol. Its IUPAC name is 4-hydroxy-1-[3-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[3-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid
PubChem CID120528203
Molecular FormulaC14H14F3NO5
Molecular Weight333.26 g/mol
Exact Mass333.08
IUPAC Name4-hydroxy-1-[3-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid
SMILESO=C(c1cccc(OC(F)(F)F)c1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C14H14F3NO5/c15-14(16,17)23-10-3-1-2-9(8-10)11(19)18-6-4-13(22,5-7-18)12(20)21/h1-3,8,22H,4-7H2,(H,20,21)
InChIKeyXRHVGYPKMBQARN-UHFFFAOYSA-N
XLogP1.64
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-[1-[3-(trifluoromethoxy)benzoyl]piperidin-4-yl]methanone
CID 10046202
4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxylic acid
CID 23149910
4-phenyl-1-[4-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid
CID 45433546
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 172646307
(3aR,6aR)-5-[3-(trifluoromethoxy)benzoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 138806940
[4-(3-fluorobenzoyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 32522141
(4-hydroxy-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 80701731
4-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid
CID 119251700
(1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116598545
(2R)-1-[3-(trifluoromethoxy)benzoyl]piperidine-2-carboxylic acid
CID 120537427
(4-hydroxy-4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 81103143
1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251479

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[3-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[3-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid (CID 120528203) is 4-hydroxy-1-[3-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[3-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[3-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid is O=C(c1cccc(OC(F)(F)F)c1)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-1-[3-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid?
The InChIKey is XRHVGYPKMBQARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO5/c15-14(16,17)23-10-3-1-2-9(8-10)11(19)18-6-4-13(22,5-7-18)12(20)21/h1-3,8,22H,4-7H2,(H,20,21).
What are the key properties of 4-hydroxy-1-[3-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid?
4-hydroxy-1-[3-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid has a molecular weight of 333.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[3-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 120528203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).