4-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxylic acid

C11H16F3NO3 — CID 63124836

IUPAC4-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO3/c1-2-10(9(17)18)3-5-15(6-4-10)8(16)7-11(12,13)14/h2-7H2,1H3,(H,17,18)
InChIKeyNWJRGBAWYXWRNY-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.04
Rot. Bonds3

About 4-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxylic acid

4-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxylic acid (PubChem CID 63124836) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 4-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxylic acid
PubChem CID63124836
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name4-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO3/c1-2-10(9(17)18)3-5-15(6-4-10)8(16)7-11(12,13)14/h2-7H2,1H3,(H,17,18)
InChIKeyNWJRGBAWYXWRNY-UHFFFAOYSA-N
XLogP2.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxylic acid (CID 63124836) is 4-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)CC(F)(F)F)CC1.
What is the InChIKey of 4-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxylic acid?
The InChIKey is NWJRGBAWYXWRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-2-10(9(17)18)3-5-15(6-4-10)8(16)7-11(12,13)14/h2-7H2,1H3,(H,17,18).
What are the key properties of 4-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxylic acid?
4-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxylic acid has a molecular weight of 267.25 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63124836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).