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    CAS 147769-93-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 147769-93-5, (s)-3-methyl-1-(2-(1-piperidinyl)phenyl)butylamine, (s)-3-methyl-1-(2-piperidin-1-ylphenyl)butylamine, (s)-3-methyl-1-(2-piperidin-1-yl-phenyl)butylamine, 3-methyl-1-(2-piperidinophenyl)-1-butylamine, (s)-, (1s)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine
    Molecular Formula
    C16H26N2
    Molecular Weight
    246.39  g/mol
    InChI Key
    CARYLRSDNWJCJV-HNNXBMFYSA-N
    FDA UNII
    DRF24F0TA7
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine
    2.1.2 InChI
    InChI=1S/C16H26N2/c1-13(2)12-15(17)14-8-4-5-9-16(14)18-10-6-3-7-11-18/h4-5,8-9,13,15H,3,6-7,10-12,17H2,1-2H3/t15-/m0/s1
    2.1.3 InChI Key
    CARYLRSDNWJCJV-HNNXBMFYSA-N
    2.1.4 Canonical SMILES
    CC(C)CC(C1=CC=CC=C1N2CCCCC2)N
    2.1.5 Isomeric SMILES
    CC(C)C[C@@H](C1=CC=CC=C1N2CCCCC2)N
    2.2 Other Identifiers
    2.2.1 UNII
    DRF24F0TA7
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 147769-93-5

    2. (s)-3-methyl-1-(2-(1-piperidinyl)phenyl)butylamine

    3. (s)-3-methyl-1-(2-piperidin-1-ylphenyl)butylamine

    4. (s)-3-methyl-1-(2-piperidin-1-yl-phenyl)butylamine

    5. 3-methyl-1-(2-piperidinophenyl)-1-butylamine, (s)-

    6. (1s)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine

    7. Ramipril Related Compound A Free Base

    8. Drf24f0ta7

    9. (s)-3-methyl-1-[2-(1-piperidinyl)phenyl]butylamine

    10. (+)-3-methyl-1-(2-piperidinophenyl)-1-butylamine

    11. (s)-3-methyl-1-(2-piperidinophenyl)-1-butylamine

    12. (1s)-3-methyl-1-(2-(piperidin-1-yl)phenyl)butan-1-amine

    13. Benzenemethanamine, Alpha-(2-methylpropyl)-2-(1-piperidinyl)-, (alphas)-

    14. Unii-drf24f0ta7

    15. Repaglinide Specified Impurity C [ep]

    16. Ec 604-603-5

    17. Schembl390826

    18. (1s)-3-methyl-1-[2-(1-piperidyl)phenyl]butan-1-amine

    19. Dtxsid10163796

    20. Xfa76993

    21. Zinc2512947

    22. Mfcd03839861

    23. Akos015889755

    24. Am84445

    25. 112gi006

    26. Ds-12225

    27. Cs-0154325

    28. Repaglinide Impurity C [ep Impurity]

    29. A13906

    30. 769m935

    31. (s)-1-(2-piperidino-phenyl)-3-methyl-1-butylamine

    32. Q-101331

    33. (s)-3-methyl-1-(2-(1-piperidinyl)phenyl)-butylamine

    34. (s)-3-methyl-1-(2-piperidin-1-ylphenyl) Butylamine

    35. (s)-3-methyl-1-(2-piperidino-phenyl)-1-butyl-amine

    36. (s)-3-methyl-1-(2-piperidino-phenyl)-1-butylamine

    37. (s)-3-methyl-1-[2-(1-piperidinyl)-phenyl]butylamine

    38. Q27276561

    39. (s)-3- Methyl-1-[2-(1- Piperidinyl)phenyl]butylamine

    40. Benzenemethanamine, .alpha.-(2-methylpropyl)-2-(1-piperidinyl)-, (.alpha.s)-

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 246.39 g/mol
    Molecular Formula C16H26N2
    XLogP33.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count4
    Exact Mass246.209598838 g/mol
    Monoisotopic Mass246.209598838 g/mol
    Topological Polar Surface Area29.3 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity233
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1