4-propyl-1-(2,2,2-trifluoroethoxycarbonyl)piperidine-4-carboxylic acid

C12H18F3NO4 — CID 63125711

IUPAC4-propyl-1-(2,2,2-trifluoroethoxycarbonyl)piperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C12H18F3NO4/c1-2-3-11(9(17)18)4-6-16(7-5-11)10(19)20-8-12(13,14)15/h2-8H2,1H3,(H,17,18)
InChIKeyHMKGDLCVWMWYCT-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.65
Rot. Bonds4

About 4-propyl-1-(2,2,2-trifluoroethoxycarbonyl)piperidine-4-carboxylic acid

4-propyl-1-(2,2,2-trifluoroethoxycarbonyl)piperidine-4-carboxylic acid (PubChem CID 63125711) has the molecular formula C12H18F3NO4 and a molecular weight of 297.27 g/mol. Its IUPAC name is 4-propyl-1-(2,2,2-trifluoroethoxycarbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-propyl-1-(2,2,2-trifluoroethoxycarbonyl)piperidine-4-carboxylic acid
PubChem CID63125711
Molecular FormulaC12H18F3NO4
Molecular Weight297.27 g/mol
Exact Mass297.12
IUPAC Name4-propyl-1-(2,2,2-trifluoroethoxycarbonyl)piperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C12H18F3NO4/c1-2-3-11(9(17)18)4-6-16(7-5-11)10(19)20-8-12(13,14)15/h2-8H2,1H3,(H,17,18)
InChIKeyHMKGDLCVWMWYCT-UHFFFAOYSA-N
XLogP2.65
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-1-(2,2,2-trifluoroethoxycarbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-propyl-1-(2,2,2-trifluoroethoxycarbonyl)piperidine-4-carboxylic acid (CID 63125711) is 4-propyl-1-(2,2,2-trifluoroethoxycarbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-propyl-1-(2,2,2-trifluoroethoxycarbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-propyl-1-(2,2,2-trifluoroethoxycarbonyl)piperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)OCC(F)(F)F)CC1.
What is the InChIKey of 4-propyl-1-(2,2,2-trifluoroethoxycarbonyl)piperidine-4-carboxylic acid?
The InChIKey is HMKGDLCVWMWYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO4/c1-2-3-11(9(17)18)4-6-16(7-5-11)10(19)20-8-12(13,14)15/h2-8H2,1H3,(H,17,18).
What are the key properties of 4-propyl-1-(2,2,2-trifluoroethoxycarbonyl)piperidine-4-carboxylic acid?
4-propyl-1-(2,2,2-trifluoroethoxycarbonyl)piperidine-4-carboxylic acid has a molecular weight of 297.27 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-(2,2,2-trifluoroethoxycarbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63125711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).