1-Phenyl-2-piperidinecarboxylic Acid - CAS 743422-75-5
Catalog: |
BB058126 |
Product Name: |
1-Phenyl-2-piperidinecarboxylic Acid |
CAS: |
743422-75-5 |
Synonyms: |
1-Phenylpiperidine-2-carboxylic acid; 1-Phenyl-piperidine-2-carboxylic acid; (R)-1-Phenyl-piperidine-2-carboxylic acid; 1-Phenylpiperidine-2-carboxylicacid |
IUPAC Name: | 1-phenylpiperidine-2-carboxylic acid |
Description: | 1-Phenyl-2-piperidinecarboxylic Acid is used in the synthesis of acyl guanidines as inhibitors of β-secretase (BACE). |
Molecular Weight: | 205.25 |
Molecular Formula: | C12H15NO2 |
Canonical SMILES: | C1CCN(C(C1)C(=O)O)C2=CC=CC=C2 |
InChI: | InChI=1S/C12H15NO2/c14-12(15)11-8-4-5-9-13(11)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,14,15) |
InChI Key: | MNJZHPAZVGUHNU-UHFFFAOYSA-N |
References: | Boy, K. et al. Bioorg. Med. Chem. Lett., 25, 5040 (2015). |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.110278721 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.5Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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