1-(2-methylpropanoyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid

C11H16F3NO3 — CID 118217440

IUPAC1-(2-methylpropanoyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid
SMILESCC(C)C(=O)N1CCC(C(=O)O)(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO3/c1-7(2)8(16)15-5-3-10(4-6-15,9(17)18)11(12,13)14/h7H,3-6H2,1-2H3,(H,17,18)
InChIKeyAEFLFSQZRWSIOT-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.90
Rot. Bonds2

About 1-(2-methylpropanoyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid

1-(2-methylpropanoyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid (PubChem CID 118217440) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpropanoyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid
PubChem CID118217440
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name1-(2-methylpropanoyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid
SMILESCC(C)C(=O)N1CCC(C(=O)O)(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO3/c1-7(2)8(16)15-5-3-10(4-6-15,9(17)18)11(12,13)14/h7H,3-6H2,1-2H3,(H,17,18)
InChIKeyAEFLFSQZRWSIOT-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-methylpropanoyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid (CID 118217440) is 1-(2-methylpropanoyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-methylpropanoyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-methylpropanoyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid is CC(C)C(=O)N1CCC(C(=O)O)(C(F)(F)F)CC1.
What is the InChIKey of 1-(2-methylpropanoyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid?
The InChIKey is AEFLFSQZRWSIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-7(2)8(16)15-5-3-10(4-6-15,9(17)18)11(12,13)14/h7H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 1-(2-methylpropanoyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid?
1-(2-methylpropanoyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid has a molecular weight of 267.25 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 118217440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).