2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid

C13H14FNO3 — CID 23345219

IUPAC2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid
SMILESCN1C(=O)CCC(C(=O)O)C1c1ccc(F)cc1
InChIInChI=1S/C13H14FNO3/c1-15-11(16)7-6-10(13(17)18)12(15)8-2-4-9(14)5-3-8/h2-5,10,12H,6-7H2,1H3,(H,17,18)
InChIKeyRRNIXCZCEGERKE-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.82
Rot. Bonds2

About 2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid

2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid (PubChem CID 23345219) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid
PubChem CID23345219
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid
SMILESCN1C(=O)CCC(C(=O)O)C1c1ccc(F)cc1
InChIInChI=1S/C13H14FNO3/c1-15-11(16)7-6-10(13(17)18)12(15)8-2-4-9(14)5-3-8/h2-5,10,12H,6-7H2,1H3,(H,17,18)
InChIKeyRRNIXCZCEGERKE-UHFFFAOYSA-N
XLogP1.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid (CID 23345219) is 2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid is CN1C(=O)CCC(C(=O)O)C1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid?
The InChIKey is RRNIXCZCEGERKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c1-15-11(16)7-6-10(13(17)18)12(15)8-2-4-9(14)5-3-8/h2-5,10,12H,6-7H2,1H3,(H,17,18).
What are the key properties of 2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid?
2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid has a molecular weight of 251.26 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 23345219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).