2-Methyl-3-(1-piperidinyl)benzoic Acid - CAS 886501-22-0
Catalog: |
BB039114 |
Product Name: |
2-Methyl-3-(1-piperidinyl)benzoic Acid |
CAS: |
886501-22-0 |
Synonyms: |
2-methyl-3-(1-piperidinyl)benzoic acid; 2-methyl-3-piperidin-1-ylbenzoic acid |
IUPAC Name: | 2-methyl-3-piperidin-1-ylbenzoic acid |
Description: | 2-Methyl-3-(1-piperidinyl)benzoic Acid (CAS# 886501-22-0) is a useful research chemical. |
Molecular Weight: | 219.28 |
Molecular Formula: | C13H17NO2 |
Canonical SMILES: | CC1=C(C=CC=C1N2CCCCC2)C(=O)O |
InChI: | InChI=1S/C13H17NO2/c1-10-11(13(15)16)6-5-7-12(10)14-8-3-2-4-9-14/h5-7H,2-4,8-9H2,1H3,(H,15,16) |
InChI Key: | RZQWNANFHHDHHJ-UHFFFAOYSA-N |
MDL: | MFCD06740060 |
LogP: | 2.74850 |
Publication Number | Title | Priority Date |
US-2020255527-A1 | Methods of treating cancer using lsd1 inhibitors in combination with immunotherapy | 20171023 |
US-2020199094-A1 | Benzamide derivatives for inhibiting endoplasmic reticulum (er) stress | 20170615 |
US-2018290976-A1 | Lsd1 inhibitors and uses thereof | 20150423 |
US-2006040984-A1 | Novel piperidine derivatives for use in the treatment of chemokine medicated disease states | 20020924 |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.125928785 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.125928785 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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