Methyl 4-fluoro-3-[4-(piperidinocarbonyl)phenyl]benzoate - CAS 1414029-14-3
Catalog: |
BB059689 |
Product Name: |
Methyl 4-fluoro-3-[4-(piperidinocarbonyl)phenyl]benzoate |
CAS: |
1414029-14-3 |
Synonyms: |
Methyl 4-fluoro-3-[4-(piperidinocarbonyl)phenyl]benzoate; methyl 4-fluoro-3-[4-(piperidine-1-carbonyl)phenyl]benzoate; Methyl4-fluoro-3-[4-(piperidinocarbonyl)phenyl]benzoate |
IUPAC Name: | methyl 4-fluoro-3-[4-(piperidine-1-carbonyl)phenyl]benzoate |
Description: | Methyl 4-fluoro-3-[4-(piperidinocarbonyl)phenyl]benzoate |
Molecular Weight: | 341.38 |
Molecular Formula: | C20H20FNO3 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)F)C2=CC=C(C=C2)C(=O)N3CCCCC3 |
InChI: | InChI=1S/C20H20FNO3/c1-25-20(24)16-9-10-18(21)17(13-16)14-5-7-15(8-6-14)19(23)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12H2,1H3 |
InChI Key: | WOEFCLYPXUCRKJ-UHFFFAOYSA-N |
Complexity: | 470 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 341.14272166 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 341.14272166 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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