4-hydroxy-1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxylic acid

C17H18F3NO4 — CID 119250918

IUPAC4-hydroxy-1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxylic acid
SMILESO=C(C1CC1c1ccccc1C(F)(F)F)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C17H18F3NO4/c18-17(19,20)13-4-2-1-3-10(13)11-9-12(11)14(22)21-7-5-16(25,6-8-21)15(23)24/h1-4,11-12,25H,5-9H2,(H,23,24)
InChIKeyXYHDPXSHVVSLCL-UHFFFAOYSA-N
MW357.33 g/mol
LogP2.25
Rot. Bonds3

About 4-hydroxy-1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxylic acid

4-hydroxy-1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxylic acid (PubChem CID 119250918) has the molecular formula C17H18F3NO4 and a molecular weight of 357.33 g/mol. Its IUPAC name is 4-hydroxy-1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxylic acid
PubChem CID119250918
Molecular FormulaC17H18F3NO4
Molecular Weight357.33 g/mol
Exact Mass357.12
IUPAC Name4-hydroxy-1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxylic acid
SMILESO=C(C1CC1c1ccccc1C(F)(F)F)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C17H18F3NO4/c18-17(19,20)13-4-2-1-3-10(13)11-9-12(11)14(22)21-7-5-16(25,6-8-21)15(23)24/h1-4,11-12,25H,5-9H2,(H,23,24)
InChIKeyXYHDPXSHVVSLCL-UHFFFAOYSA-N
XLogP2.25
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 119251554
1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251379
piperazin-1-yl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124698455
(4-hydroxypiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 110883937
(4-benzylpiperazin-1-yl)-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 97262774
(3,5-dimethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 86914418
2-[methyl-[(4R)-1-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]azepan-4-yl]amino]acetic acid
CID 129429825
1-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]cyclobutane-1-carboxylic acid
CID 124700304
[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 56809621
1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251874
1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 124702859
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidin-4-yl]methanone
CID 134042210

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxylic acid (CID 119250918) is 4-hydroxy-1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxylic acid is O=C(C1CC1c1ccccc1C(F)(F)F)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxylic acid?
The InChIKey is XYHDPXSHVVSLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO4/c18-17(19,20)13-4-2-1-3-10(13)11-9-12(11)14(22)21-7-5-16(25,6-8-21)15(23)24/h1-4,11-12,25H,5-9H2,(H,23,24).
What are the key properties of 4-hydroxy-1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxylic acid?
4-hydroxy-1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxylic acid has a molecular weight of 357.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119250918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).