loader
Please Wait
Applying Filters...
menu
    • menu

    Technical details about CAS 477600-70-7, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    EUROAPI, the leading small molecules API player, provides both API sales & CDMO services.

    Virtual Booth

    Contact Supplier

    Bora Pharmaceuticals- Making success more certain.

    Virtual Booth

    Contact Supplier

    Polfa Tarchomin is a leading Polish pharmaceutical company with 200 year tradition in manufacture and sale of pharmaceutical products.

    Virtual Booth

    Contact Supplier

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    Virtual Booth

    Contact Supplier

    Axplora- The partner of choice for complex APIs.

    Virtual Booth

    Contact Supplier

    Fareva is a one-stop-shop for API/HPAPI, OSD & Sterile products, is USFDA, EMA and PMDA-inspected and has multiple NDA & ANDA filings.

    Virtual Booth

    Contact Supplier

    Menu

    CAS 477600-70-7

    BUILDING BLOCK

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 477600-70-7, Cis-1-benzyl-n,4-dimethylpiperidin-3-amine, (3r,4r)-n,4-dimethyl-1-benzyl-3-piperidinamine, 477600-69-4, 3-piperidinamine, n,4-dimethyl-1-(phenylmethyl)-, (3r,4r)-, (3r,4r)-(1-benzyl-4-methyl-piperidin-3-yl)-methyl-amine
    Molecular Formula
    C14H22N2
    Molecular Weight
    218.34  g/mol
    InChI Key
    NVKDDQBZODSEIN-OCCSQVGLSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine
    2.1.2 InChI
    InChI=1S/C14H22N2/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/t12-,14+/m1/s1
    2.1.3 InChI Key
    NVKDDQBZODSEIN-OCCSQVGLSA-N
    2.1.4 Canonical SMILES
    CC1CCN(CC1NC)CC2=CC=CC=C2
    2.1.5 Isomeric SMILES
    C[C@@H]1CCN(C[C@@H]1NC)CC2=CC=CC=C2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 477600-70-7

    2. Cis-1-benzyl-n,4-dimethylpiperidin-3-amine

    3. (3r,4r)-n,4-dimethyl-1-benzyl-3-piperidinamine

    4. 477600-69-4

    5. 3-piperidinamine, N,4-dimethyl-1-(phenylmethyl)-, (3r,4r)-

    6. (3r,4r)-(1-benzyl-4-methyl-piperidin-3-yl)-methyl-amine

    7. Mfcd09475548

    8. Tofacitinib Impurity F

    9. Tofacitinib Impurity E

    10. Cis-(1-benzyl-4-methyl-piperidin-3-yl)-methyl-amine

    11. Schembl352022

    12. Amy4163

    13. Dtxsid70659968

    14. Cs-b0451

    15. Cua60069

    16. Mfcd11978163

    17. Zinc34040492

    18. Akos007930642

    19. Akos015919918

    20. Ds-0688

    21. Fs-2942

    22. Ac-24272

    23. A25786

    24. (3r,4r)-1-benzyl-n,4-dimethyl-3-piperidinamine

    25. A1-00088

    26. J-504320

    27. (3r,4r)-(1-benzyl-4-methylpiperidin-3-yl)-methylamine

    28. 3-piperidinamine,n,4-dimethyl-1-(phenylmethyl)-,(3r,4r)-rel-

    2.3 Create Date
    2010-03-02
    3 Chemical and Physical Properties
    Molecular Weight 218.34 g/mol
    Molecular Formula C14H22N2
    XLogP32.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass218.178298710 g/mol
    Monoisotopic Mass218.178298710 g/mol
    Topological Polar Surface Area15.3 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity199
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1