3-Fluoro-4-(piperidin-1-yl)benzonitrile - CAS 505080-54-6
Catalog: |
BB063416 |
Product Name: |
3-Fluoro-4-(piperidin-1-yl)benzonitrile |
CAS: |
505080-54-6 |
Synonyms: |
3-Fluoro-4-(piperidin-1-yl)benzonitrile; 3-fluoro-4-piperidin-1-ylbenzonitrile |
IUPAC Name: | 3-fluoro-4-piperidin-1-ylbenzonitrile |
Description: | 3-Fluoro-4-(piperidin-1-yl)benzonitrile |
Molecular Weight: | 204.24 |
Molecular Formula: | C12H13FN2 |
Canonical SMILES: | C1CCN(CC1)C2=C(C=C(C=C2)C#N)F |
InChI: | InChI=1S/C12H13FN2/c13-11-8-10(9-14)4-5-12(11)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2 |
InChI Key: | ATWAMCJDNQDOEA-UHFFFAOYSA-N |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.10627659 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.10627659 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 27Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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