
 (RS)-PPCC

 57 60  0  0  0  0  0  0  0  0999 V2000
    1.4670   -2.2515    0.8076 C   0  0  0  0  0
    2.7095   -1.7114    0.1647 C   0  0  0  0  0
    3.0070   -2.0045   -1.1692 C   0  0  0  0  0
    4.1801   -1.5205   -1.7577 C   0  0  0  0  0
    5.0924   -0.7371   -1.0334 C   0  0  0  0  0
    4.7910   -0.4785    0.3153 C   0  0  0  0  0
    3.6199   -0.9574    0.9086 C   0  0  0  0  0
    6.3765   -0.2026   -1.6660 C   0  0  0  0  0
    6.2931    0.6104   -2.9587 C   0  0  0  0  0
    6.5285    1.3296   -1.6628 C   0  0  0  0  0
    7.8491    1.9664   -1.3336 C   0  0  0  0  0
    7.8179    3.4377   -1.4831 N   0  0  0  0  0
    9.2046    3.9416   -1.4981 C   0  0  0  0  0
    9.2791    5.4648   -1.6253 C   0  0  0  0  0
    8.4538    6.1800   -0.5432 C   0  0  0  0  0
    7.0346    5.5950   -0.5006 C   0  0  0  0  0
    7.0423    4.0685   -0.3989 C   0  0  0  0  0
    8.4120    7.6943   -0.7853 C   0  0  0  0  0
    8.9057    8.6049    0.1665 C   0  0  0  0  0
    8.8644    9.9840   -0.0565 C   0  0  0  0  0
    8.3267   10.4838   -1.2380 C   0  0  0  0  0
    7.8285    9.6048   -2.1949 C   0  0  0  0  0
    7.8698    8.2253   -1.9707 C   0  0  0  0  0
    9.0795    5.9524    0.7326 O   0  0  0  0  0
    7.5845   -1.0794   -1.4863 C   0  0  0  0  0
    8.3904   -0.9044   -0.5838 O   0  0  0  0  0
    7.6289   -2.0568   -2.4313 O   0  0  0  0  0
    8.7033   -2.9912   -2.3106 C   0  0  0  0  0
    0.6658   -2.3714    0.0709 H   0  0  0  0  0
    1.0985   -1.5665    1.5786 H   0  0  0  0  0
    1.6746   -3.2229    1.2665 H   0  0  0  0  0
    2.3272   -2.6115   -1.7629 H   0  0  0  0  0
    4.3868   -1.7627   -2.7983 H   0  0  0  0  0
    5.4845    0.1063    0.9172 H   0  0  0  0  0
    3.4260   -0.7356    1.9556 H   0  0  0  0  0
    5.3267    0.7397   -3.4336 H   0  0  0  0  0
    7.1117    0.5397   -3.6670 H   0  0  0  0  0
    5.6882    1.8830   -1.2626 H   0  0  0  0  0
    8.6093    1.5516   -2.0082 H   0  0  0  0  0
    8.1460    1.6983   -0.3121 H   0  0  0  0  0
    9.7372    3.5132   -2.3568 H   0  0  0  0  0
    9.7456    3.6160   -0.6001 H   0  0  0  0  0
   10.3317    5.7683   -1.5556 H   0  0  0  0  0
    8.9346    5.7407   -2.6298 H   0  0  0  0  0
    6.4870    5.9970    0.3618 H   0  0  0  0  0
    6.4663    5.8763   -1.3965 H   0  0  0  0  0
    7.4216    3.7600    0.5833 H   0  0  0  0  0
    5.9956    3.7510   -0.4410 H   0  0  0  0  0
    9.3318    8.2471    1.1018 H   0  0  0  0  0
    9.2541   10.6639    0.6964 H   0  0  0  0  0
    8.2955   11.5558   -1.4113 H   0  0  0  0  0
    7.4059    9.9914   -3.1185 H   0  0  0  0  0
    7.4690    7.5672   -2.7386 H   0  0  0  0  0
    9.1184    4.9993    0.9017 H   0  0  0  0  0
    9.4778   -2.7347   -3.0383 H   0  0  0  0  0
    8.3136   -3.9843   -2.5518 H   0  0  0  0  0
    9.1342   -3.0313   -1.3057 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  4  5  2  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 34  1  0  0  0
  7 35  1  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
  8 25  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 11 12  1  0  0  0
 11 39  1  0  0  0
 11 40  1  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 41  1  0  0  0
 13 42  1  0  0  0
 14 15  1  0  0  0
 14 43  1  0  0  0
 14 44  1  0  0  0
 15 16  1  0  0  0
 15 24  1  0  0  0
 15 18  1  0  0  0
 16 17  1  0  0  0
 16 45  1  0  0  0
 16 46  1  0  0  0
 17 47  1  0  0  0
 17 48  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 49  1  0  0  0
 20 21  2  0  0  0
 20 50  1  0  0  0
 21 22  1  0  0  0
 21 51  1  0  0  0
 22 23  2  0  0  0
 22 52  1  0  0  0
 23 53  1  0  0  0
 24 54  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 28  1  0  0  0
 28 55  1  0  0  0
 28 56  1  0  0  0
 28 57  1  0  0  0
M  END

>  <Chemical Name>
(RS)-PPCC

>  <PubChem CID>
16726095

>  <Formula>
C24H29NO3

>  <Molecular Weight>
379.500000

>  <IUPAC Name>
methyl 2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxylate

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=C(C=C1)C2(CC2CN3CCC(CC3)(C4=CC=CC=C4)O)C(=O)OC

>  <Isomeric SMILES>
CC1=CC=C(C=C1)C2(CC2CN3CCC(CC3)(C4=CC=CC=C4)O)C(=O)OC

>  <InChI Std. ID>
InChI=1S/C24H29NO3/c1-18-8-10-20(11-9-18)24(22(26)28-2)16-21(24)17-25-14-12-23(27,13-15-25)19-6-4-3-5-7-19/h3-11,21,27H,12-17H2,1-2H3

>  <InChI Key>
BDSYECBSUUOPCT-UHFFFAOYSA-N

