1-Benzyl-4-methyl-3-(methylamino)piperidine Dihydrochloride - CAS 1228879-37-5
Catalog: |
BB005591 |
Product Name: |
1-Benzyl-4-methyl-3-(methylamino)piperidine Dihydrochloride |
CAS: |
1228879-37-5 |
Synonyms: |
N,4-dimethyl-1-(phenylmethyl)-3-piperidinamine;dihydrochloride; 1-benzyl-N,4-dimethylpiperidin-3-amine;dihydrochloride |
IUPAC Name: | 1-benzyl-N,4-dimethylpiperidin-3-amine;dihydrochloride |
Description: | A dihydrochloride salt form of the impurities of Tofacitinib, which is a Janus kinase inhibitor and could be used against rheumatoid arthritis. |
Molecular Weight: | 291.26 |
Molecular Formula: | C14H24Cl2N2 |
Canonical SMILES: | CC1CCN(CC1NC)CC2=CC=CC=C2.Cl.Cl |
InChI: | 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 |
InChI Key: | CVQNXCBXFOIHLH-UHFFFAOYSA-N |
Purity: | 99 % |
Appearance: | Off-white to white powder |
LogP: | 4.04920 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112213402-A | Method for detecting (3R,4R) -1-benzyl-N, 4-dimethylpiperidine-3-amine dihydrochloride and isomer thereof | 20190710 |
EP-3421455-A1 | Improved process for the preparation of chiral 3-amino-piperidins, useful intermediates for the preparation of tofacitinib | 20170629 |
EP-3421455-B1 | Improved process for the preparation of chiral 3-amino-piperidins, useful intermediates for the preparation of tofacitinib | 20170629 |
JP-2019023181-A | Improved method for the preparation of chiral 3-amino-piperidines, useful intermediates for the preparation of tofacitinib | 20170629 |
US-2019002407-A1 | Process for the preparation of chiral 3-amino-piperidins, useful intermediates for the preparation of tofacitinib | 20170629 |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 290.1316542 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 290.1316542 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 15.3 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
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