
 SMR000236404

 51 52  0  0  0  0  0  0  0  0999 V2000
    0.7379    0.9863    0.1178 C   0  0  0  0  0
   -0.7874    1.1561    0.1726 C   0  0  0  0  0
   -1.4119   -0.1092   -0.1925 N   0  0  0  0  0
   -1.0283   -1.2658    0.6038 C   0  0  0  0  0
    0.5076   -1.3979    0.5532 C   0  0  0  0  0
    1.1921   -0.1442    0.9647 N   0  0  0  0  0
    1.0842    0.1719    2.4121 C   0  0  0  0  0
    1.9007   -0.7832    3.3094 C   0  0  0  0  0
    3.4031   -0.7581    2.9874 C   0  0  0  0  0
    4.0608   -1.6525    3.8593 O   0  0  0  0  0
    5.4556   -1.5893    3.6565 C   0  0  0  0  0
    6.1132   -2.5933    4.5628 C   0  0  0  0  0
    5.7961   -3.9562    4.4415 C   0  0  0  0  0
    6.3956   -4.8972    5.2836 C   0  0  0  0  0
    7.3170   -4.4854    6.2518 C   0  0  0  0  0
    7.6396   -3.1300    6.3772 C   0  0  0  0  0
    7.0411   -2.1852    5.5370 C   0  0  0  0  0
    8.0666   -5.6681    7.3085 Cl  0  0  0  0  0
    1.6905   -0.4599    4.6626 O   0  0  0  0  0
   -2.3536   -0.2469   -1.2754 C   0  0  0  0  0
   -2.4933    0.7340   -2.2850 C   0  0  0  0  0
   -3.4373    0.5522   -3.2976 C   0  0  0  0  0
   -4.2397   -0.5854   -3.3061 C   0  0  0  0  0
   -4.0799   -1.5396   -2.3038 C   0  0  0  0  0
   -3.1497   -1.3547   -1.3306 N   0  0  0  0  0
    2.9333   -1.1913   -3.5075 Cl  0  0  0  0  0
    1.2382    1.9317    0.4226 H   0  0  0  0  0
    1.0328    0.7941   -0.9366 H   0  0  0  0  0
   -1.0942    2.0119   -0.4504 H   0  0  0  0  0
   -1.0935    1.4201    1.2064 H   0  0  0  0  0
   -1.3691   -1.1260    1.6492 H   0  0  0  0  0
   -1.4826   -2.2099    0.2366 H   0  0  0  0  0
    0.8414   -2.2636    1.1575 H   0  0  0  0  0
    0.7996   -1.6285   -0.4958 H   0  0  0  0  0
    0.0290    0.1595    2.7496 H   0  0  0  0  0
    1.4684    1.2000    2.5975 H   0  0  0  0  0
    1.5355   -1.8205    3.1723 H   0  0  0  0  0
    3.7752    0.2828    3.1336 H   0  0  0  0  0
    3.5496   -1.0713    1.9291 H   0  0  0  0  0
    5.8347   -0.5675    3.8884 H   0  0  0  0  0
    5.7176   -1.8559    2.6075 H   0  0  0  0  0
    5.0824   -4.2857    3.6961 H   0  0  0  0  0
    6.1430   -5.9451    5.1841 H   0  0  0  0  0
    8.3523   -2.8086    7.1259 H   0  0  0  0  0
    7.2993   -1.1393    5.6469 H   0  0  0  0  0
    2.0213    0.4646    4.8110 H   0  0  0  0  0
   -1.8851    1.6214   -2.3214 H   0  0  0  0  0
   -3.5451    1.2960   -4.0763 H   0  0  0  0  0
   -4.9780   -0.7278   -4.0847 H   0  0  0  0  0
   -4.6976   -2.4275   -2.2980 H   0  0  0  0  0
    2.4848   -0.6785   -2.3139 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8 19  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
  9 39  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
 11 41  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 42  1  0  0  0
 14 15  2  0  0  0
 14 43  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 44  1  0  0  0
 17 45  1  0  0  0
 19 46  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 47  1  0  0  0
 22 23  2  0  0  0
 22 48  1  0  0  0
 23 24  1  0  0  0
 23 49  1  0  0  0
 24 25  2  0  0  0
 24 50  1  0  0  0
 26 51  1  0  0  0
M  END

>  <Chemical Name>
SMR000236404

>  <PubChem CID>
12006007

>  <Formula>
C19H25Cl2N3O2

>  <Molecular Weight>
398.328000

>  <IUPAC Name>
1-[(4-chlorophenyl)methoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCN1CC(COCC2=CC=C(C=C2)Cl)O)C3=CC=CC=N3.Cl

>  <Isomeric SMILES>
C1CN(CCN1CC(COCC2=CC=C(C=C2)Cl)O)C3=CC=CC=N3.Cl

>  <InChI Std. ID>
InChI=1S/C19H24ClN3O2.ClH/c20-17-6-4-16(5-7-17)14-25-15-18(24)13-22-9-11-23(12-10-22)19-3-1-2-8-21-19;/h1-8,18,24H,9-15H2;1H

>  <InChI Key>
DYDHPMLQKVXWHF-UHFFFAOYSA-N

