(3R,4R)-N,4-Dimethyl-piperidin-3-amine - CAS 1354469-76-3
Catalog: |
BB067743 |
Product Name: |
(3R,4R)-N,4-Dimethyl-piperidin-3-amine |
CAS: |
1354469-76-3 |
Synonyms: |
(3R,4R)-N,4-Dimethyl-3-piperidinamine |
IUPAC Name: | (3R,4R)-N,4-dimethylpiperidin-3-amine |
Description: | (3R,4R)-N,4-Dimethyl-piperidin-3-amine is an intermediate in the preparation of the drug Tofacitinib. |
Molecular Weight: | 128.22 |
Molecular Formula: | C7H16N2 |
Canonical SMILES: | CC1CCNCC1NC |
InChI: | InChI=1S/C7H16N2/c1-6-3-4-9-5-7(6)8-2/h6-9H,3-5H2,1-2H3/t6-,7+/m1/s1 |
InChI Key: | MGQFIZCZIYDUSZ-RQJHMYQMSA-N |
References: | Wang, H., et al. From Faming Zhuanli Shenqing (2014), CN 104059016 A 20140924. |
Complexity: | 83 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.131348519 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.131348519 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 24.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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