1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid

C8H12F3NO2 — CID 19622790

IUPAC1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)5-12-3-1-6(2-4-12)7(13)14/h6H,1-5H2,(H,13,14)
InChIKeyXIUOKZDKFRRRSA-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.35
Rot. Bonds2

About 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid

1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid (PubChem CID 19622790) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid
PubChem CID19622790
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)5-12-3-1-6(2-4-12)7(13)14/h6H,1-5H2,(H,13,14)
InChIKeyXIUOKZDKFRRRSA-UHFFFAOYSA-N
XLogP1.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylpiperidine-4-carboxylic acid
CID 2736939
4-Piperidinecarboxylic acid, 1-methyl-, hydrochloride (1:1)
CID 2760043
1-Isopropylpiperidine-4-Carboxylic Acid
CID 6484187
1-(Cyclopropylmethyl)piperidine-4-carboxylic acid hydrochloride
CID 17221488
1-Propylpiperidine-4-carboxylic acid hydrochloride
CID 43810467
1-Ethylpiperidine-4-carboxylic acid hydrochloride
CID 45075030
1-(2,2-Difluoroethyl)piperidine-4-carboxylic acid hydrochloride
CID 91647610
1-(2,2,2-Trifluoroethyl)piperidine-4-carboxylic acid hydrochloride
CID 91663079
4-Fluoro-1-methylpiperidine-4-carboxylic acid hydrochloride
CID 91667882
1-(Carbonofluoridoyl)piperidine-4-carboxylic acid
CID 143488886
1-(2-Fluoroethyl)piperidine-4-carboxylic acid hydrochloride
CID 165997509
4-Carboxy-1,1-Dimethylpiperidin-1-Ium
CID 71385008

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid (CID 19622790) is 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid?
The InChIKey is XIUOKZDKFRRRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c9-8(10,11)5-12-3-1-6(2-4-12)7(13)14/h6H,1-5H2,(H,13,14).
What are the key properties of 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid?
1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid has a molecular weight of 211.18 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 19622790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).