4-Benzylpiperidine - CAS 31252-42-3
Catalog: |
BB020842 |
Product Name: |
4-Benzylpiperidine |
CAS: |
31252-42-3 |
Synonyms: |
4-benzylpiperidine |
IUPAC Name: | 4-benzylpiperidine |
Description: | 4-Benzylpiperidine was studied as acid corrosion inhibitor for iron. 4-Benzylpiperidine was also used to study potential utility of dopamine-welective releaser as a treatment for cocaine dependence. In an assay of cocaine discrimination, 4-Benzylpiperidine had the most rapid onset and shortest duration of action. |
Molecular Weight: | 175.27 |
Molecular Formula: | C12H17N |
Canonical SMILES: | C1CNCCC1CC2=CC=CC=C2 |
InChI: | InChI=1S/C12H17N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5,12-13H,6-10H2 |
InChI Key: | ABGXADJDTPFFSZ-UHFFFAOYSA-N |
Boiling Point: | 279 °C |
Melting Point: | 41797 °C |
Purity: | 95 % |
Density: | 0.99 g/cm3 |
Appearance: | Clear colourless to yellow viscous liquid |
MDL: | MFCD00006006 |
LogP: | 2.55750 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
22964243 | 20121201 | Structural, vibrational and DSC investigations of the bis-4-benzyl piperidinium tetraoxoselenate monohydrate crystal | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
22395730 | 20120601 | Cocaine self-administration produces pharmacodynamic tolerance: differential effects on the potency of dopamine transporter blockers, releasers, and methylphenidate | Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology |
19395258 | 20090515 | Computer-aided rational molecular design of argifin-derivatives with increased inhibitory activity against chitinase B from Serratia marcescens | Bioorganic & medicinal chemistry letters |
19151247 | 20090401 | Selective suppression of cocaine- versus food-maintained responding by monoamine releasers in rhesus monkeys: benzylpiperazine, (+)phenmetrazine, and 4-benzylpiperidine | The Journal of pharmacology and experimental therapeutics |
19226970 | 20090101 | Synthesis and pharmacological properties of new derivatives of 4-alkoxy-6-methyl-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-diones | Acta poloniae pharmaceutica |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.136099547 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.136099547 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 12 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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