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

C11H18F3NO2 — CID 63126857

IUPAC4-propyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO2/c1-2-3-10(9(16)17)4-6-15(7-5-10)8-11(12,13)14/h2-8H2,1H3,(H,16,17)
InChIKeyNGPKTUATBBXBHH-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.52
Rot. Bonds4

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

4-propyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid (PubChem CID 63126857) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-propyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-propyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid
PubChem CID63126857
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name4-propyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO2/c1-2-3-10(9(16)17)4-6-15(7-5-10)8-11(12,13)14/h2-8H2,1H3,(H,16,17)
InChIKeyNGPKTUATBBXBHH-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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Frequently Asked Questions

What is the IUPAC name of 4-propyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-propyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid (CID 63126857) is 4-propyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-propyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-propyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-propyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid?
The InChIKey is NGPKTUATBBXBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-2-3-10(9(16)17)4-6-15(7-5-10)8-11(12,13)14/h2-8H2,1H3,(H,16,17).
What are the key properties of 4-propyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid?
4-propyl-1-(2,2,2-trifluoroethyl)piperidine-4-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 4-propyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63126857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).