1-(2,4-difluorobenzoyl)-2-methylpiperidine-4-carboxylic acid

C14H15F2NO3 — CID 106741867

IUPAC1-(2,4-difluorobenzoyl)-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2NO3/c1-8-6-9(14(19)20)4-5-17(8)13(18)11-3-2-10(15)7-12(11)16/h2-3,7-9H,4-6H2,1H3,(H,19,20)
InChIKeyQHNKGZVDCIVXDF-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.29
Rot. Bonds2

About 1-(2,4-difluorobenzoyl)-2-methylpiperidine-4-carboxylic acid

1-(2,4-difluorobenzoyl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106741867) has the molecular formula C14H15F2NO3 and a molecular weight of 283.27 g/mol. Its IUPAC name is 1-(2,4-difluorobenzoyl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-difluorobenzoyl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106741867
Molecular FormulaC14H15F2NO3
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name1-(2,4-difluorobenzoyl)-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2NO3/c1-8-6-9(14(19)20)4-5-17(8)13(18)11-3-2-10(15)7-12(11)16/h2-3,7-9H,4-6H2,1H3,(H,19,20)
InChIKeyQHNKGZVDCIVXDF-UHFFFAOYSA-N
XLogP2.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2347956
1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122114260
1-(2-fluoro-3-methylbenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742099
1-(4-chloro-2-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741789
1-(2,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016788
1-(2-hydroxy-4-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741876
1-(2-bromobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741861
1-(3-bromo-5-fluorobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741784
1-(4-chlorobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741708
1-(2,4-difluorophenyl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742376
(2,4-dimethylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103687923
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzoyl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2,4-difluorobenzoyl)-2-methylpiperidine-4-carboxylic acid (CID 106741867) is 1-(2,4-difluorobenzoyl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,4-difluorobenzoyl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,4-difluorobenzoyl)-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorobenzoyl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is QHNKGZVDCIVXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO3/c1-8-6-9(14(19)20)4-5-17(8)13(18)11-3-2-10(15)7-12(11)16/h2-3,7-9H,4-6H2,1H3,(H,19,20).
What are the key properties of 1-(2,4-difluorobenzoyl)-2-methylpiperidine-4-carboxylic acid?
1-(2,4-difluorobenzoyl)-2-methylpiperidine-4-carboxylic acid has a molecular weight of 283.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzoyl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106741867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).