4-Benzoylpiperidine Hydrochloride - CAS 25519-80-6
Catalog: |
BB018941 |
Product Name: |
4-Benzoylpiperidine Hydrochloride |
CAS: |
25519-80-6 |
Synonyms: |
phenyl(4-piperidinyl)methanone;hydrochloride; phenyl(piperidin-4-yl)methanone;hydrochloride |
IUPAC Name: | phenyl(piperidin-4-yl)methanone;hydrochloride |
Description: | A synthetic intermediate in the preparation of CNS depressants. |
Molecular Weight: | 225.71 |
Molecular Formula: | C12H16ClNO |
Canonical SMILES: | C1CNCCC1C(=O)C2=CC=CC=C2.Cl |
InChI: | InChI=1S/C12H15NO.ClH/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11;/h1-5,11,13H,6-9H2;1H |
InChI Key: | NXYKIFZJQXOUJS-UHFFFAOYSA-N |
Boiling Point: | 310.7 °C at 760 mmHg |
LogP: | 2.99970 |
GHS Hazard Statement: | H301 (86.36%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3204380-A1 | Novel aminopyridine compounds useful as inhibitors of protein prenylation | 20141008 |
EP-3204380-B1 | Novel aminopyridine compounds useful as inhibitors of protein prenylation | 20141008 |
JP-2017536342-A | Novel aminopyridine compounds useful as inhibitors of protein prenylation | 20141008 |
US-10654838-B2 | Aminopyridine compounds useful as inhibitors of protein prenylation | 20141008 |
US-2017305892-A1 | Novel aminopyridine compounds useful as inhibitors of protein prenylation | 20141008 |
Complexity: | 191 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.0920418 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.0920418 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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