
 Piperazine, 1-(2-methoxyphenyl)-4-(2-phenylethyl)-

 46 48  0  0  0  0  0  0  0  0999 V2000
    7.9617    2.7758   -0.3399 C   0  0  0  0  0
    6.8951    1.8516   -0.4951 O   0  0  0  0  0
    5.6336    2.2338   -0.1142 C   0  0  0  0  0
    5.3674    3.4681    0.5011 C   0  0  0  0  0
    4.0863    3.7809    0.9584 C   0  0  0  0  0
    3.0544    2.8649    0.8068 C   0  0  0  0  0
    3.3016    1.6452    0.1772 C   0  0  0  0  0
    4.5799    1.3048   -0.3098 C   0  0  0  0  0
    4.6903    0.0388   -0.9319 N   0  0  0  0  0
    4.8526   -1.0436    0.0639 C   0  0  0  0  0
    4.8905   -2.4382   -0.6176 C   0  0  0  0  0
    5.8518   -2.5727   -1.7454 N   0  0  0  0  0
    5.5312   -1.4857   -2.7059 C   0  0  0  0  0
    5.5850   -0.0638   -2.1017 C   0  0  0  0  0
    7.2381   -2.5134   -1.2297 C   0  0  0  0  0
    8.3340   -2.6569   -2.2988 C   0  0  0  0  0
    9.7132   -2.5696   -1.6833 C   0  0  0  0  0
   10.3290   -1.3218   -1.5018 C   0  0  0  0  0
   11.5960   -1.2379   -0.9183 C   0  0  0  0  0
   12.2517   -2.3948   -0.5074 C   0  0  0  0  0
   11.6436   -3.6381   -0.6736 C   0  0  0  0  0
   10.3778   -3.7250   -1.2579 C   0  0  0  0  0
    8.8787    2.2835   -0.6790 H   0  0  0  0  0
    8.1049    3.0477    0.7106 H   0  0  0  0  0
    7.8086    3.6611   -0.9653 H   0  0  0  0  0
    6.1444    4.2084    0.6544 H   0  0  0  0  0
    3.9000    4.7361    1.4412 H   0  0  0  0  0
    2.0571    3.0967    1.1694 H   0  0  0  0  0
    2.4809    0.9433    0.0469 H   0  0  0  0  0
    4.0090   -1.0417    0.7661 H   0  0  0  0  0
    5.7656   -0.8878    0.6515 H   0  0  0  0  0
    5.0896   -3.2092    0.1367 H   0  0  0  0  0
    3.8875   -2.6625   -1.0059 H   0  0  0  0  0
    6.1848   -1.5417   -3.5827 H   0  0  0  0  0
    4.5204   -1.6647   -3.0972 H   0  0  0  0  0
    6.6291    0.1380   -1.8563 H   0  0  0  0  0
    5.2725    0.6568   -2.8668 H   0  0  0  0  0
    7.3636   -3.3385   -0.5145 H   0  0  0  0  0
    7.4184   -1.5951   -0.6592 H   0  0  0  0  0
    8.2548   -1.8696   -3.0574 H   0  0  0  0  0
    8.2238   -3.6093   -2.8308 H   0  0  0  0  0
    9.8253   -0.4095   -1.8131 H   0  0  0  0  0
   12.0683   -0.2682   -0.7859 H   0  0  0  0  0
   13.2386   -2.3294   -0.0545 H   0  0  0  0  0
   12.1553   -4.5408   -0.3506 H   0  0  0  0  0
    9.9128   -4.7023   -1.3794 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  2  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 10 31  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 11 33  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 16 41  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 19 20  2  0  0  0
 19 43  1  0  0  0
 20 21  1  0  0  0
 20 44  1  0  0  0
 21 22  2  0  0  0
 21 45  1  0  0  0
 22 46  1  0  0  0
M  END

>  <Chemical Name>
Piperazine, 1-(2-methoxyphenyl)-4-(2-phenylethyl)-

>  <PubChem CID>
3826471

>  <Formula>
C19H24N2O

>  <Molecular Weight>
296.414000

>  <IUPAC Name>
1-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCC3=CC=CC=C3

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C19H24N2O/c1-22-19-10-6-5-9-18(19)21-15-13-20(14-16-21)12-11-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3

>  <InChI Key>
AMBPIKSQPHQYTQ-UHFFFAOYSA-N

