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    Chemistry

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    Also known as: 210095-66-2, 2-[(s)-(4-chlorophenyl)(4-piperidinyloxy)methyl]pyridine, n-acetyl-l-phenylalanine (1:1), 2-acetamido-3-phenylpropanoic acid;2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine
    Molecular Formula
    C28H32ClN3O4
    Molecular Weight
    510.0  g/mol
    InChI Key
    RKTMWCQVKCSVPZ-UHFFFAOYSA-N
    CAS 210095-66-2
    1 2D Structure

    CAS 210095-66-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-acetamido-3-phenylpropanoic acid;2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine
    2.1.2 InChI
    InChI=1S/C17H19ClN2O.C11H13NO3/c18-14-6-4-13(5-7-14)17(16-3-1-2-10-20-16)21-15-8-11-19-12-9-15;1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h1-7,10,15,17,19H,8-9,11-12H2;2-6,10H,7H2,1H3,(H,12,13)(H,14,15)
    2.1.3 InChI Key
    RKTMWCQVKCSVPZ-UHFFFAOYSA-N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. (none)

    2.2.2 Depositor-Supplied Synonyms

    1. 210095-66-2

    2. 2-[(s)-(4-chlorophenyl)(4-piperidinyloxy)methyl]pyridine, N-acetyl-l-phenylalanine (1:1)

    3. 2-acetamido-3-phenylpropanoic Acid;2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine

    2.3 Create Date
    2007-12-06
    3 Chemical and Physical Properties
    Molecular Weight 510.0 g/mol
    Molecular Formula C28H32ClN3O4
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count8
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area101
    Heavy Atom Count36
    Formal Charge0
    Complexity535
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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