6-[(5-chloro-2-fluorophenyl)methyl]piperidine-2-carboxylic acid

C13H15ClFNO2 — CID 103049933

IUPAC6-[(5-chloro-2-fluorophenyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCC(Cc2cc(Cl)ccc2F)N1
InChIInChI=1S/C13H15ClFNO2/c14-9-4-5-11(15)8(6-9)7-10-2-1-3-12(16-10)13(17)18/h4-6,10,12,16H,1-3,7H2,(H,17,18)
InChIKeyOOCRIUHNABGAIH-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.62
Rot. Bonds3

About 6-[(5-chloro-2-fluorophenyl)methyl]piperidine-2-carboxylic acid

6-[(5-chloro-2-fluorophenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 103049933) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is 6-[(5-chloro-2-fluorophenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(5-chloro-2-fluorophenyl)methyl]piperidine-2-carboxylic acid
PubChem CID103049933
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name6-[(5-chloro-2-fluorophenyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCC(Cc2cc(Cl)ccc2F)N1
InChIInChI=1S/C13H15ClFNO2/c14-9-4-5-11(15)8(6-9)7-10-2-1-3-12(16-10)13(17)18/h4-6,10,12,16H,1-3,7H2,(H,17,18)
InChIKeyOOCRIUHNABGAIH-UHFFFAOYSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-L-phenylalanine
CID 2761492
3-Chloro-D-phenylalanine
CID 7009409
3-Chlorophenylalanine
CID 85680
(2S,4S)-4-[(2,5-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 54580791
(2S,4S)-4-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 54581819
(4R)-4-((2-Chlorophenyl)methyl)-L-proline--hydrogen chloride (1/1)
CID 2761973
N-Acetyl-4-chlorophenylalanine
CID 602662
2-Amino-3-(2-chloro-6-fluorophenyl)propanoic acid;hydrochloride
CID 15926055
3-Chloro-2-fluoro-DL-phenylalanine
CID 3828101
4-Chloro-3-fluoro-DL-phenylalanine
CID 11053116
2-amino-3-(3-chlorophenyl)propanoic Acid Hydrochloride
CID 11322301
(2S)-2-amino-3-(4-chloro-3-fluorophenyl)propanoic acid
CID 62717943

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-fluorophenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 6-[(5-chloro-2-fluorophenyl)methyl]piperidine-2-carboxylic acid (CID 103049933) is 6-[(5-chloro-2-fluorophenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 6-[(5-chloro-2-fluorophenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 6-[(5-chloro-2-fluorophenyl)methyl]piperidine-2-carboxylic acid is O=C(O)C1CCCC(Cc2cc(Cl)ccc2F)N1.
What is the InChIKey of 6-[(5-chloro-2-fluorophenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is OOCRIUHNABGAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c14-9-4-5-11(15)8(6-9)7-10-2-1-3-12(16-10)13(17)18/h4-6,10,12,16H,1-3,7H2,(H,17,18).
What are the key properties of 6-[(5-chloro-2-fluorophenyl)methyl]piperidine-2-carboxylic acid?
6-[(5-chloro-2-fluorophenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 271.72 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-2-fluorophenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 103049933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).