
 BRN 4530212

 46 48  0  0  0  0  0  0  0  0999 V2000
    0.6035    1.2720   -0.1031 C   0  0  0  0  0
   -0.9451    1.2092   -0.0227 C   0  0  0  0  0
   -1.4337   -0.0045   -0.6980 N   0  0  0  0  0
   -0.8112   -1.2460   -0.2180 C   0  0  0  0  0
    0.7261   -1.1185   -0.3458 C   0  0  0  0  0
    1.3300    0.0520    0.3396 N   0  0  0  0  0
    1.3240   -0.0661    1.8060 C   0  0  0  0  0
    2.2329   -1.2007    2.3007 C   0  0  0  0  0
    2.3575   -1.2124    3.8210 C   0  0  0  0  0
    1.0616   -1.4223    4.3807 O   0  0  0  0  0
    0.9807   -1.5301    5.7408 C   0  0  0  0  0
    2.0545   -1.4647    6.6349 C   0  0  0  0  0
    1.8304   -1.6006    8.0066 C   0  0  0  0  0
    0.5384   -1.7971    8.4795 C   0  0  0  0  0
   -0.5389   -1.8606    7.6035 C   0  0  0  0  0
   -0.3137   -1.7268    6.2344 C   0  0  0  0  0
    0.3291   -1.9282    9.7948 F   0  0  0  0  0
   -2.7089   -0.0144   -1.2421 C   0  0  0  0  0
   -3.0886    0.9823   -2.1554 C   0  0  0  0  0
   -4.3266    0.9557   -2.8048 C   0  0  0  0  0
   -5.2248   -0.0732   -2.5456 C   0  0  0  0  0
   -4.8839   -1.0648   -1.6325 C   0  0  0  0  0
   -3.6384   -1.0339   -0.9924 C   0  0  0  0  0
    0.8801    1.4522   -1.1513 H   0  0  0  0  0
    0.9651    2.1483    0.4485 H   0  0  0  0  0
   -1.3453    2.1265   -0.4690 H   0  0  0  0  0
   -1.2680    1.1980    1.0253 H   0  0  0  0  0
   -1.1033   -1.4436    0.8196 H   0  0  0  0  0
   -1.1206   -2.1040   -0.8264 H   0  0  0  0  0
    1.2000   -2.0527   -0.0316 H   0  0  0  0  0
    0.9703   -1.0283   -1.4143 H   0  0  0  0  0
    0.3082   -0.1935    2.1981 H   0  0  0  0  0
    1.7104    0.8707    2.2300 H   0  0  0  0  0
    3.2321   -1.1018    1.8599 H   0  0  0  0  0
    1.8227   -2.1677    1.9907 H   0  0  0  0  0
    2.7725   -0.2593    4.1688 H   0  0  0  0  0
    3.0273   -2.0341    4.1037 H   0  0  0  0  0
    3.0738   -1.3128    6.2970 H   0  0  0  0  0
    2.6566   -1.5551    8.7106 H   0  0  0  0  0
   -1.5401   -2.0139    7.9908 H   0  0  0  0  0
   -1.1523   -1.7776    5.5425 H   0  0  0  0  0
   -2.3887    1.7703   -2.4188 H   0  0  0  0  0
   -4.5740    1.7280   -3.5288 H   0  0  0  0  0
   -6.1814   -0.1054   -3.0580 H   0  0  0  0  0
   -5.5790   -1.8724   -1.4227 H   0  0  0  0  0
   -3.4115   -1.8264   -0.2846 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  8 35  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
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 13 14  2  0  0  0
 13 39  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 40  1  0  0  0
 16 41  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 20 21  2  0  0  0
 20 43  1  0  0  0
 21 22  1  0  0  0
 21 44  1  0  0  0
 22 23  2  0  0  0
 22 45  1  0  0  0
 23 46  1  0  0  0
M  END

>  <Chemical Name>
BRN 4530212

>  <PubChem CID>
3069135

>  <Formula>
C19H23FN2O

>  <Molecular Weight>
314.404000

>  <IUPAC Name>
1-[3-(4-fluorophenoxy)propyl]-4-phenylpiperazine

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1CCCOC2=CC=C(C=C2)F)C3=CC=CC=C3

>  <Isomeric SMILES>
C1CN(CCN1CCCOC2=CC=C(C=C2)F)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C19H23FN2O/c20-17-7-9-19(10-8-17)23-16-4-11-21-12-14-22(15-13-21)18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2

>  <InChI Key>
GUOQPFNLBAXWIZ-UHFFFAOYSA-N

