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

C13H14F3NO4 — CID 23149910

IUPAC4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C13H14F3NO4/c14-13(15,16)21-10-3-1-2-9(8-10)12(20)4-6-17(7-5-12)11(18)19/h1-3,8,20H,4-7H2,(H,18,19)
InChIKeyIQAWFTRZKMZVDR-UHFFFAOYSA-N
MW305.25 g/mol
LogP2.55
Rot. Bonds2

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

4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxylic acid (PubChem CID 23149910) has the molecular formula C13H14F3NO4 and a molecular weight of 305.25 g/mol. Its IUPAC name is 4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxylic acid
PubChem CID23149910
Molecular FormulaC13H14F3NO4
Molecular Weight305.25 g/mol
Exact Mass305.09
IUPAC Name4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C13H14F3NO4/c14-13(15,16)21-10-3-1-2-9(8-10)12(20)4-6-17(7-5-12)11(18)19/h1-3,8,20H,4-7H2,(H,18,19)
InChIKeyIQAWFTRZKMZVDR-UHFFFAOYSA-N
XLogP2.55
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-(5-methyl-2-pyridinyl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 138994954
N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 138994950
N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 138996285
4-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 63407060
4-[3-(trifluoromethoxy)phenyl]oxepan-4-ol
CID 65079305
4-hydroxy-1-[3-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid
CID 120528203
1-(5-chloro-3-nitro-2-pyridinyl)-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol
CID 133497669
4-[(2S)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]acetyl]piperazine-1-carboxylic acid
CID 174506052
3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 133497718
4-[3-(dibenzylamino)phenyl]-4-hydroxypiperidine-1-carboxylic acid
CID 71257969
2-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]-3-nitropyridine-4-carbonitrile
CID 133497686
5-(trifluoromethoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid
CID 118195749

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxylic acid (CID 23149910) is 4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of 4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxylic acid?
The InChIKey is IQAWFTRZKMZVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO4/c14-13(15,16)21-10-3-1-2-9(8-10)12(20)4-6-17(7-5-12)11(18)19/h1-3,8,20H,4-7H2,(H,18,19).
What are the key properties of 4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxylic acid?
4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxylic acid has a molecular weight of 305.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 23149910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).