
 LASSBio-724

 47 48  0  0  0  0  0  0  0  0999 V2000
    0.4790    1.1802   -0.0638 C   0  0  0  0  0
   -1.0243    1.1641    0.2590 C   0  0  0  0  0
   -1.6200   -0.0398   -0.3112 N   0  0  0  0  0
   -1.0167   -1.3023    0.0997 C   0  0  0  0  0
    0.4821   -1.2457   -0.2372 C   0  0  0  0  0
    1.1488   -0.0689    0.3751 N   0  0  0  0  0
    1.2982   -0.1318    1.8507 C   0  0  0  0  0
    2.2187   -1.2776    2.3036 C   0  0  0  0  0
    2.3952   -1.2701    3.8288 C   0  0  0  0  0
    3.2479   -2.4277    4.2894 C   0  0  0  0  0
    2.7049   -3.4171    5.1286 C   0  0  0  0  0
    3.4932   -4.4910    5.5533 C   0  0  0  0  0
    4.8268   -4.5849    5.1476 C   0  0  0  0  0
    5.3758   -3.6043    4.3171 C   0  0  0  0  0
    4.5919   -2.5283    3.8883 C   0  0  0  0  0
   -2.7087    0.0084   -1.2608 C   0  0  0  0  0
   -3.5944   -1.0872   -1.4056 C   0  0  0  0  0
   -4.6497   -1.0387   -2.3196 C   0  0  0  0  0
   -4.8432    0.0918   -3.1099 C   0  0  0  0  0
   -3.9833    1.1814   -2.9873 C   0  0  0  0  0
   -2.9270    1.1485   -2.0717 C   0  0  0  0  0
    1.8586    0.2722   -3.8170 Cl  0  0  0  0  0
    0.5993    1.2876   -1.1638 H   0  0  0  0  0
    0.9601    2.0692    0.3998 H   0  0  0  0  0
   -1.4995    2.1026   -0.0785 H   0  0  0  0  0
   -1.1672    1.1444    1.3592 H   0  0  0  0  0
   -1.1667   -1.4532    1.1884 H   0  0  0  0  0
   -1.4333   -2.1814   -0.4258 H   0  0  0  0  0
    0.9804   -2.1934    0.0409 H   0  0  0  0  0
    0.5845   -1.1719   -1.3426 H   0  0  0  0  0
    0.3163   -0.2312    2.3562 H   0  0  0  0  0
    1.7623    0.8165    2.2028 H   0  0  0  0  0
    3.2047   -1.1692    1.8027 H   0  0  0  0  0
    1.7785   -2.2570    2.0293 H   0  0  0  0  0
    1.3870   -1.3369    4.2949 H   0  0  0  0  0
    2.8616   -0.3168    4.1592 H   0  0  0  0  0
    1.6725   -3.3590    5.4503 H   0  0  0  0  0
    3.0692   -5.2511    6.1968 H   0  0  0  0  0
    5.4350   -5.4171    5.4777 H   0  0  0  0  0
    6.4096   -3.6778    4.0053 H   0  0  0  0  0
    5.0306   -1.7745    3.2471 H   0  0  0  0  0
   -3.4977   -1.9759   -0.8006 H   0  0  0  0  0
   -5.3229   -1.8820   -2.4111 H   0  0  0  0  0
   -5.6611    0.1235   -3.8181 H   0  0  0  0  0
   -4.1328    2.0565   -3.6067 H   0  0  0  0  0
   -2.2777    2.0083   -2.0273 H   0  0  0  0  0
    2.6012    0.2927   -2.6590 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 16  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 12 13  2  0  0  0
 12 38  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 14 15  2  0  0  0
 14 40  1  0  0  0
 15 41  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 42  1  0  0  0
 18 19  2  0  0  0
 18 43  1  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 20 21  2  0  0  0
 20 45  1  0  0  0
 21 46  1  0  0  0
 22 47  1  0  0  0
M  END

>  <Chemical Name>
LASSBio-724

>  <PubChem CID>
53329621

>  <Formula>
C19H25ClN2

>  <Molecular Weight>
316.873000

>  <IUPAC Name>
1-phenyl-4-(3-phenylpropyl)piperazine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CCN1CCCC2=CC=CC=C2)C3=CC=CC=C3.Cl

>  <Isomeric SMILES>
C1CN(CCN1CCCC2=CC=CC=C2)C3=CC=CC=C3.Cl

>  <InChI Std. ID>
InChI=1S/C19H24N2.ClH/c1-3-8-18(9-4-1)10-7-13-20-14-16-21(17-15-20)19-11-5-2-6-12-19;/h1-6,8-9,11-12H,7,10,13-17H2;1H

>  <InChI Key>
BAFQIYZVRBXVTE-UHFFFAOYSA-N

