3-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate

C13H13F3NO3- — CID 22128208

IUPAC3-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate
SMILESO=C([O-])N1CCC(c2cccc(C(F)(F)F)c2)C(O)C1
InChIInChI=1S/C13H14F3NO3/c14-13(15,16)9-3-1-2-8(6-9)10-4-5-17(12(19)20)7-11(10)18/h1-3,6,10-11,18H,4-5,7H2,(H,19,20)/p-1
InChIKeyOUCVTQVRHWSLSD-UHFFFAOYSA-M
MW288.25 g/mol
LogP1.20
Rot. Bonds1

About 3-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate

3-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate (PubChem CID 22128208) has the molecular formula C13H13F3NO3- and a molecular weight of 288.25 g/mol. Its IUPAC name is 3-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name3-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate
PubChem CID22128208
Molecular FormulaC13H13F3NO3-
Molecular Weight288.25 g/mol
Exact Mass288.09
IUPAC Name3-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate
SMILESO=C([O-])N1CCC(c2cccc(C(F)(F)F)c2)C(O)C1
InChIInChI=1S/C13H14F3NO3/c14-13(15,16)9-3-1-2-8(6-9)10-4-5-17(12(19)20)7-11(10)18/h1-3,6,10-11,18H,4-5,7H2,(H,19,20)/p-1
InChIKeyOUCVTQVRHWSLSD-UHFFFAOYSA-M
XLogP1.20
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S,4R)-3-amino-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 39872224
[4-(methylamino)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 119561835
1-(2-phenoxypropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-3-ol
CID 151955496
(3S,4R)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-ium-3-carboxylate
CID 11885542
1-cyclopropyl-2-oxo-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 135346548
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162535440
(3-piperazin-1-ylpyrrolidin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 120996310
cyclopropyl-[(3S,4R)-3-(4-methylpiperazine-1-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 97478969
[4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 119544756
[4-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 119518806
1-(3-hydroxypyrrolidine-1-carbonyl)-5-[3-(trifluoromethyl)phenyl]piperidine-3-carboxylic acid
CID 58002186

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate?
The IUPAC name of 3-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate (CID 22128208) is 3-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate.
What is the SMILES notation for 3-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate?
The canonical SMILES for 3-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate is O=C([O-])N1CCC(c2cccc(C(F)(F)F)c2)C(O)C1.
What is the InChIKey of 3-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate?
The InChIKey is OUCVTQVRHWSLSD-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H14F3NO3/c14-13(15,16)9-3-1-2-8(6-9)10-4-5-17(12(19)20)7-11(10)18/h1-3,6,10-11,18H,4-5,7H2,(H,19,20)/p-1.
What are the key properties of 3-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate?
3-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate has a molecular weight of 288.25 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate is sourced from PubChem (CID 22128208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).