1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid

C14H20F3NO3 — CID 174730208

IUPAC1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2(C(F)(F)F)CCCCC2)CC1
InChIInChI=1S/C14H20F3NO3/c15-14(16,17)13(6-2-1-3-7-13)12(21)18-8-4-10(5-9-18)11(19)20/h10H,1-9H2,(H,19,20)
InChIKeyXPQMUKPUYRMCNE-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.82
Rot. Bonds2

About 1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid

1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid (PubChem CID 174730208) has the molecular formula C14H20F3NO3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid
PubChem CID174730208
Molecular FormulaC14H20F3NO3
Molecular Weight307.31 g/mol
Exact Mass307.14
IUPAC Name1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2(C(F)(F)F)CCCCC2)CC1
InChIInChI=1S/C14H20F3NO3/c15-14(16,17)13(6-2-1-3-7-13)12(21)18-8-4-10(5-9-18)11(19)20/h10H,1-9H2,(H,19,20)
InChIKeyXPQMUKPUYRMCNE-UHFFFAOYSA-N
XLogP2.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid (CID 174730208) is 1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)C2(C(F)(F)F)CCCCC2)CC1.
What is the InChIKey of 1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid?
The InChIKey is XPQMUKPUYRMCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO3/c15-14(16,17)13(6-2-1-3-7-13)12(21)18-8-4-10(5-9-18)11(19)20/h10H,1-9H2,(H,19,20).
What are the key properties of 1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid?
1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid has a molecular weight of 307.31 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 174730208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).