1-Benzyl-4-piperidone - CAS 3612-20-2
Catalog: |
BB022869 |
Product Name: |
1-Benzyl-4-piperidone |
CAS: |
3612-20-2 |
Synonyms: |
1-benzylpiperidin-4-one |
IUPAC Name: | 1-benzylpiperidin-4-one |
Description: | A substituted piperidine as pesticide. |
Molecular Weight: | 189.25 |
Molecular Formula: | C12H15NO |
Canonical SMILES: | C1CN(CCC1=O)CC2=CC=CC=C2 |
InChI: | InChI=1S/C12H15NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2 |
InChI Key: | SJZKULRDWHPHGG-UHFFFAOYSA-N |
Boiling Point: | 114-116 °C (0.4 mmHg) |
Purity: | 98 % |
Density: | 1.069 g/cm3 |
Appearance: | Clear colorless to straw coloured oily liquid |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00006192 |
LogP: | 1.78940 |
GHS Hazard Statement: | H302 (22.81%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021086879-A1 | Compounds and methods of use | 20191028 |
WO-2021081272-A1 | Progranulin modulators and methods of using the same | 20191025 |
US-2021115065-A1 | Compounds and compositions for the treatment of parasitic diseases | 20191021 |
WO-2021078120-A1 | Compounds and compositions for the treatment of parasitic diseases | 20191021 |
WO-2021063404-A1 | Compound as small molecule inhibitor pd-1/pd-l1 and application thereof | 20190930 |
PMID | Publication Date | Title | Journal |
22058728 | 20111001 | 6-Benzyl-2-[(triphenyl-λ-phosphanyl-idene)amino]-4,5,6,7-tetra-hydro-thieno[2,3-c]pyridine-3-carbonitrile | Acta crystallographica. Section E, Structure reports online |
21754872 | 20110601 | 1-Benzyl-3,5-bis-(4-chloro-benzyl-idene)piperidin-4-one | Acta crystallographica. Section E, Structure reports online |
21522333 | 20110205 | 1-Benzyl-3,5-bis-[(E)-3-thienyl-methyl-idene]piperidin-4-one | Acta crystallographica. Section E, Structure reports online |
21163662 | 20110101 | Cholinergic and neuroprotective drugs for the treatment of Alzheimer and neuronal vascular diseases. II. Synthesis, biological assessment, and molecular modelling of new tacrine analogues from highly substituted 2-aminopyridine-3-carbonitriles | Bioorganic & medicinal chemistry |
21522725 | 20101224 | Ethyl 2-amino-6-benzyl-4,5,6,7-tetra-hydro-thieno[2,3-c]pyridine-3-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.115364102 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.115364102 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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