3-Fluoro-4-piperidone Hydrochloride - CAS 1070896-59-1
Catalog: |
BB001978 |
Product Name: |
3-Fluoro-4-piperidone Hydrochloride |
CAS: |
1070896-59-1 |
Synonyms: |
3-fluoro-4-piperidinone;hydrochloride; 3-fluoropiperidin-4-one;hydrochloride |
IUPAC Name: | 3-fluoropiperidin-4-one;hydrochloride |
Description: | 3-Fluoro-4-piperidone Hydrochloride (CAS# 1070896-59-1) is a useful research chemical. |
Molecular Weight: | 153.58 |
Molecular Formula: | C5H9ClFNO |
Canonical SMILES: | C1CNCC(C1=O)F.Cl |
InChI: | InChI=1S/C5H8FNO.ClH/c6-4-3-7-2-1-5(4)8;/h4,7H,1-3H2;1H |
InChI Key: | BYUPJANSFLEUDQ-UHFFFAOYSA-N |
Boiling Point: | 214.5 °C at 760 mmHg |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 1.01770 |
Publication Number | Title | Priority Date |
CN-113248491-A | Substituted indole urea derivatives, synthesis method and application thereof | 20200211 |
WO-2020112581-A1 | Novel substituted piperazine amide compounds as indoleamine 2, 3-dioxygenase (ido) inhibitors | 20181128 |
EP-3886845-A1 | Novel substituted piperazine amide compounds as indoleamine 2, 3-dioxygenase (ido) inhibitors | 20181128 |
AU-2016274433-A1 | Positive allosteric modulators of muscarinic M2 receptor | 20150609 |
US-10435403-B2 | Positive allosteric modulators of muscarinic M2 receptor | 20150609 |
Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.0356698 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.0356698 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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