Cas no 1062580-52-2 ((3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride)
(3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride Chemical and Physical Properties
Names and Identifiers
-
- (3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride
- cis-1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride
- cis-1-Benzyl-N3,4-dimethylpiperidin-3-amine dihydrochloride
- (3R,4R)-1-benzyl-N,4-diMethylpiperidin-3-aMine BIS-(HYDROCHLORIDE)
- (3R,4R)-N,4-Dimethyl-1-(phenylmethyl)-3-piperidinamine hydrochloride
- (3R,4R)- cis-1-Benzyl-4-Methyl-3-(MethylaMino)piperidine dihydrochloride
- cis-1-Benzyl-3-(methylamino)-4-methylpiperidine Dihydrochloride
- CIS-N-BENZYL-3-METHYLAMINO-4-METHYL-PIPERIDINE BIS-(HYDROCHLORIDE)
- Tofacitinib interMediate A
- Tofacitinib intermediate 3
- (3R,4R)-N,4-DiMethyl-1-(phenylMethyl)-3-piperidi
- (3R,4R)- Cis-1-benzyl-4-Methyl-3-(MethylaMino)piperidine
- (3R,4R)-N,4-Dimethyl-1-(phenylmethyl)-3-piperidinamine HCl
- (3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE DIHYDROCHLORID
- (3R,4R)-rel-1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride
- (3R,4R)-(1-Benzyl-4-methyl-piperidin-3-yl)-methyl-amine dihydrochloride
- 3-Piperidinamine,N,4-dimethyl-1-(phenylmethyl)-,hydrochloride(1:2),(3R,4R)-
- (1-Benzyl-4-methyl-piperidin-3-yl)-methyl-amine dihydrochloride
- 3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride
- AM85470
- A850075
- A872075
- EN300-7377454
- 477600-68-3
- C14H24Cl2N2
- (3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride_Racemic
- 1062580-52-2
- MFCD11044501
- UNII-H9652393WE
- CS-B0452
- J-501288
- (3R,4R)-1-Benzyl-N,4-dimethyl-3-piperidinamine dihydrochloride
- (3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine;dihydrochloride
- SCHEMBL1375746
- P15623
- 1-Benzyl-N,4-dimethyl-piperidin-3-amine dihydrochloride, (3R,4R)-
- (3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride;Tofacitinib Impurity 01
- (3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-aminedihydrochloride
- (3S,4S)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE HYDROCHLORIDE
- cis-N-Benzyl-3-methylamino-4-methyl-piperidine bis-(HCl)
- DTXSID60909964
- EC 700-696-2
- 3-Piperidinamine, N,4-dimethyl-1-(phenylmethyl)-, hydrochloride (1:2), (3R,4R)-
- AKOS016842796
- H9652393WE
- (3R,4R)-rel-N,4-Dimethyl-1-(phenylmethyl)-3-piperidinamine Dihydrochloride
- (3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE 2HCl
- (3R,4R)-1-Benzyl-3-(methylamino)-4-methylpiperidine Dihydrochloride
- DS-16348
- AC-26979
- 1-Benzyl-N,4-dimethylpiperidin-3-amine--hydrogen chloride (1/2)
- CS-W009258
-
- MDL: MFCD22419361
- Inchi: 1S/C14H22N2.2ClH/c1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13;;/h3-7,12,14-15H,8-11H2,1-2H3;2*1H/t12-,14+;;/m1../s1
- InChI Key: CVQNXCBXFOIHLH-DAIKJZOUSA-N
- SMILES: Cl.Cl.N1(CC2C=CC=CC=2)CC[C@@H](C)[C@H](C1)NC
Computed Properties
- Exact Mass: 290.13200
- Monoisotopic Mass: 290.1316542g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 199
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 15.3
Experimental Properties
- PSA: 15.27000
- LogP: 4.04920
(3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride Security Information
- HazardClass:IRRITANT
(3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride Customs Data
- HS CODE:2933399090
- Customs Data:
China Customs Code:
2933399090Overview:
2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
(3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride Pricemore >>
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(3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride Suppliers
(3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride Spectrogram
| 1H NMR | 300 MHz | DMSO |
| 13C NMR |
(3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride Related Literature
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1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
Additional information on (3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride
Introduction to (3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride (CAS No. 1062580-52-2)
(3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride, identified by its CAS number 1062580-52-2, is a compound of significant interest in the field of pharmaceutical chemistry. This compound belongs to the piperidine class of heterocyclic amines, which are widely recognized for their diverse biological activities and potential therapeutic applications. The specific stereochemistry of this molecule, denoted by the (3R,4R) configuration, plays a crucial role in determining its pharmacological properties and interactions with biological targets.
Thebenzyl group attached to the piperidine ring and theN,4-dimethyl substituents contribute to the unique chemical and pharmacological profile of this compound. These structural features not only influence its solubility and stability but also modulate its binding affinity and selectivity towards biological receptors. In recent years, there has been growing interest in developing novel piperidine derivatives as pharmacological agents due to their potential to interact with a wide range of biological targets.
One of the most compelling aspects of (3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride is its potential application in the development of drugs targeting neurological disorders. Piperidine derivatives have been extensively studied for their ability to modulate neurotransmitter systems, particularly those involving dopamine and serotonin. The (3R,4R) configuration of this compound suggests that it may exhibit enhanced binding affinity to specific neurotransmitter receptors, making it a promising candidate for further investigation.
Recent research has highlighted the importance of stereochemistry in the pharmacological activity of piperidine-based compounds. Studies have shown that subtle changes in the stereochemical configuration can significantly alter the biological activity and pharmacokinetic properties of these molecules. The (3R,4R) configuration of (3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride is believed to contribute to its unique pharmacological profile by optimizing its interaction with biological targets.
In addition to its potential applications in neurological disorders, this compound has also been explored for itsantimicrobial properties. Preliminary studies have indicated that certain piperidine derivatives exhibit inhibitory effects against a variety of bacterial and fungal pathogens. Thebenzyl andN-methyl groups in (3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride may play a key role in these interactions by disrupting essential bacterial metabolic pathways or interfering with cell wall synthesis.
The development of new antimicrobial agents is critically important in light of the increasing prevalence of antibiotic-resistant strains. Piperidine-based compounds represent a promising class of molecules that could address this challenge by offering novel mechanisms of action. Further research is needed to fully elucidate the antimicrobial spectrum and efficacy of (3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride and related derivatives.
The synthesis and characterization of (3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride have been optimized for high yield and purity. Advanced synthetic techniques have been employed to ensure the correct stereochemical configuration is achieved at each step of the synthesis. The final product has been rigorously characterized using spectroscopic methods such as nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS), confirming its identity and purity.
Thedihydrochloride salt form of this compound enhances its solubility in aqueous solutions, making it more suitable for formulation into pharmaceutical products. This salt form also improves stability during storage and transportation, ensuring that the compound remains viable for further research and development.
In conclusion, (3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride is a versatile compound with significant potential in pharmaceutical applications. Its unique stereochemistry and structural features make it an attractive candidate for further investigation in areas such as neurological disorders and antimicrobial therapy. Continued research into this compound and related derivatives will likely yield valuable insights into their pharmacological properties and potential therapeutic uses.
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