1-(4-chloro-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid

C14H15ClFNO3 — CID 114421066

IUPAC1-(4-chloro-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)c2ccc(Cl)cc2F)C(C(=O)O)C1
InChIInChI=1S/C14H15ClFNO3/c1-8-4-5-17(12(6-8)14(19)20)13(18)10-3-2-9(15)7-11(10)16/h2-3,7-8,12H,4-6H2,1H3,(H,19,20)
InChIKeyUUQBHTVYZIENLN-UHFFFAOYSA-N
MW299.73 g/mol
LogP2.80
Rot. Bonds2

About 1-(4-chloro-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid

1-(4-chloro-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 114421066) has the molecular formula C14H15ClFNO3 and a molecular weight of 299.73 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-chloro-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid
PubChem CID114421066
Molecular FormulaC14H15ClFNO3
Molecular Weight299.73 g/mol
Exact Mass299.07
IUPAC Name1-(4-chloro-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)c2ccc(Cl)cc2F)C(C(=O)O)C1
InChIInChI=1S/C14H15ClFNO3/c1-8-4-5-17(12(6-8)14(19)20)13(18)10-3-2-9(15)7-11(10)16/h2-3,7-8,12H,4-6H2,1H3,(H,19,20)
InChIKeyUUQBHTVYZIENLN-UHFFFAOYSA-N
XLogP2.80
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorobenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421356
1-(4-amino-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 103871145
1-(2-chloro-4,5-difluorobenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421364
1-(3-chlorobenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421672
1-[(4-chloro-2-iodophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 107628481
1-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114421311
1-(4-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041508
3-(4-chloro-2-fluorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791065
(2,4-dimethylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103687923
4-methyl-1-(2,4,6-trimethylbenzoyl)piperidine-2-carboxylic acid
CID 114421816
1-(2,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016788
1-(2,4-difluorobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741867

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(4-chloro-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid (CID 114421066) is 1-(4-chloro-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-chloro-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(4-chloro-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid is CC1CCN(C(=O)c2ccc(Cl)cc2F)C(C(=O)O)C1.
What is the InChIKey of 1-(4-chloro-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is UUQBHTVYZIENLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO3/c1-8-4-5-17(12(6-8)14(19)20)13(18)10-3-2-9(15)7-11(10)16/h2-3,7-8,12H,4-6H2,1H3,(H,19,20).
What are the key properties of 1-(4-chloro-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid?
1-(4-chloro-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 299.73 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114421066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).