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

C10H16FNO3 — CID 118217438

IUPAC4-fluoro-1-(2-methylpropanoyl)piperidine-4-carboxylic acid
SMILESCC(C)C(=O)N1CCC(F)(C(=O)O)CC1
InChIInChI=1S/C10H16FNO3/c1-7(2)8(13)12-5-3-10(11,4-6-12)9(14)15/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyRIGYIZBFAWHHLO-UHFFFAOYSA-N
MW217.24 g/mol
LogP1.06
Rot. Bonds2

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

4-fluoro-1-(2-methylpropanoyl)piperidine-4-carboxylic acid (PubChem CID 118217438) has the molecular formula C10H16FNO3 and a molecular weight of 217.24 g/mol. Its IUPAC name is 4-fluoro-1-(2-methylpropanoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-1-(2-methylpropanoyl)piperidine-4-carboxylic acid
PubChem CID118217438
Molecular FormulaC10H16FNO3
Molecular Weight217.24 g/mol
Exact Mass217.11
IUPAC Name4-fluoro-1-(2-methylpropanoyl)piperidine-4-carboxylic acid
SMILESCC(C)C(=O)N1CCC(F)(C(=O)O)CC1
InChIInChI=1S/C10H16FNO3/c1-7(2)8(13)12-5-3-10(11,4-6-12)9(14)15/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyRIGYIZBFAWHHLO-UHFFFAOYSA-N
XLogP1.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(2-methylpropanoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-fluoro-1-(2-methylpropanoyl)piperidine-4-carboxylic acid (CID 118217438) is 4-fluoro-1-(2-methylpropanoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-fluoro-1-(2-methylpropanoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-fluoro-1-(2-methylpropanoyl)piperidine-4-carboxylic acid is CC(C)C(=O)N1CCC(F)(C(=O)O)CC1.
What is the InChIKey of 4-fluoro-1-(2-methylpropanoyl)piperidine-4-carboxylic acid?
The InChIKey is RIGYIZBFAWHHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO3/c1-7(2)8(13)12-5-3-10(11,4-6-12)9(14)15/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 4-fluoro-1-(2-methylpropanoyl)piperidine-4-carboxylic acid?
4-fluoro-1-(2-methylpropanoyl)piperidine-4-carboxylic acid has a molecular weight of 217.24 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(2-methylpropanoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 118217438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).