3-propyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid

C11H18F3NO2 — CID 55166283

IUPAC3-propyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(CC(F)(F)F)C1
InChIInChI=1S/C11H18F3NO2/c1-2-4-10(9(16)17)5-3-6-15(7-10)8-11(12,13)14/h2-8H2,1H3,(H,16,17)
InChIKeyMXAMKWVFJFHFIF-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.52
Rot. Bonds4

About 3-propyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid

3-propyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid (PubChem CID 55166283) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-propyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-propyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid
PubChem CID55166283
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name3-propyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(CC(F)(F)F)C1
InChIInChI=1S/C11H18F3NO2/c1-2-4-10(9(16)17)5-3-6-15(7-10)8-11(12,13)14/h2-8H2,1H3,(H,16,17)
InChIKeyMXAMKWVFJFHFIF-UHFFFAOYSA-N
XLogP2.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Ethyl-3-Methylpiperidine-3-Carboxylic Acid Hydrochloride
CID 45595339
1-(2,2,2-Trifluoroethyl)piperidine-3-carboxylic acid hydrochloride
CID 71757212
5-Trimethylnipecotic acid
CID 129813049
1-(2,2,2-Trifluoroethyl)piperidine-3-carboxylic acid
CID 19622793
(3R)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid
CID 28160828
3-Fluoro-1-methylpiperidine-3-carboxylic acid
CID 84021205
2-(3,3-Difluoro-1-methylpiperidin-4-yl)acetic acid
CID 84772591
5,5-Difluoro-1-methylpiperidine-3-carboxylic acid
CID 91010840
3-Methyl-5-(trifluoromethyl)piperidine-1,3-dicarboxylic acid
CID 123772540
1-(Trifluoromethyl)piperidine-3-carboxylic acid
CID 140219896
1-(Difluoromethyl)piperidine-3-carboxylic acid
CID 140255108
3-Ethyl-5-fluoropiperidine-1,3-dicarboxylic acid
CID 146598051

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-propyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid (CID 55166283) is 3-propyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-propyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-propyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(CC(F)(F)F)C1.
What is the InChIKey of 3-propyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid?
The InChIKey is MXAMKWVFJFHFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-2-4-10(9(16)17)5-3-6-15(7-10)8-11(12,13)14/h2-8H2,1H3,(H,16,17).
What are the key properties of 3-propyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid?
3-propyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 55166283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).