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    methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate

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    2D Structure
    Also known as: 115655-44-2, 4-n-boc-amino-piperidine-4-carboxylic acid methyl ester, Methyl 4-(boc-amino)piperidine-4-carboxylate, Methyl 4-n-boc-aminopiperidine-4-carboxylate, 4-n-boc-amino-isonipecotic acid methyl ester, Methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
    Molecular Formula
    C12H22N2O4
    Molecular Weight
    258.31  g/mol
    InChI Key
    XWBFIPVPQLAHMA-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
    2.1.2 InChI
    InChI=1S/C12H22N2O4/c1-11(2,3)18-10(16)14-12(9(15)17-4)5-7-13-8-6-12/h13H,5-8H2,1-4H3,(H,14,16)
    2.1.3 InChI Key
    XWBFIPVPQLAHMA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)NC1(CCNCC1)C(=O)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 115655-44-2

    2. 4-n-boc-amino-piperidine-4-carboxylic Acid Methyl Ester

    3. Methyl 4-(boc-amino)piperidine-4-carboxylate

    4. Methyl 4-n-boc-aminopiperidine-4-carboxylate

    5. 4-n-boc-amino-isonipecotic Acid Methyl Ester

    6. Methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate

    7. Methyl 4-[(tert-butoxycarbonyl)amino]piperidine-4-carboxylate

    8. Methyl 4-{[(tert-butoxy)carbonyl]amino}piperidine-4-carboxylate

    9. 4-tert-butoxycarbonylamino-piperidine-4-carboxylic Acid Methyl Ester

    10. Mfcd06796557

    11. Methyl 4-(tert-butoxycarbonylamino)piperidine-4-carboxylate

    12. Schembl387928

    13. Amy3793

    14. Dtxsid00561424

    15. Act07460

    16. Zinc12648793

    17. Akos015919952

    18. Ac-9189

    19. Cs-w003339

    20. Pb34175

    21. Ds-12759

    22. Sy019885

    23. Ft-0687368

    24. A13670

    25. A803469

    26. A893842

    27. 4-n-boc-amino-isonipecotic Acid Methyl Ester Oxalate

    28. Methyl 4-(tert-butoxycarbonyl)piperidine-4-carboxylate

    29. 4-(tert-butyloxycarbonylamino)-4-carbomethoxy-piperidine

    30. 4-[(tert-butyloxycarbonyl)amino]-4-(methoxycarbonyl)piperidine

    31. Methyl 4-(tert-butoxycarbonyl-amino)piperidine-4-carboxylate

    32. Methyl 4-(tert-butoxycarbonylamino)-piperidine-4-carboxylate

    33. Methyl4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylate

    34. Methyl 4-({[(1,1-dimethylethyl)oxy]carbonyl}amino)-4-piperidinecarboxylate

    35. 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-piperidinecarboxylic Acid Methyl Ester

    36. 4-piperidinecarboxylic Acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, Methyl Ester

    37. Methyl 4-(tert-butoxycarbonyl)piperidine-4-carboxylate;4-n-boc-amino-isonipecotic Acid Methyl Ester

    2.3 Create Date
    2007-02-09
    3 Chemical and Physical Properties
    Molecular Weight 258.31 g/mol
    Molecular Formula C12H22N2O4
    XLogP30.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count5
    Exact Mass258.15795719 g/mol
    Monoisotopic Mass258.15795719 g/mol
    Topological Polar Surface Area76.7 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity317
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1