
 CHEMBL544711

 36 37  0  0  0  0  0  0  0  0999 V2000
    1.9917    0.1618   -0.3551 C   0  0  0  0  0
    2.8458    0.0927   -1.6119 C   0  0  0  0  0
    4.0747    1.0133   -1.5740 C   0  0  0  0  0
    4.9887    0.8049   -0.4401 N   0  0  0  0  0
    5.5679   -0.5441   -0.3631 C   0  0  0  0  0
    6.5995   -0.8407   -1.4520 C   0  0  0  0  0
    7.7196    0.1971   -1.4483 C   0  0  0  0  0
    7.1474    1.6230   -1.5071 C   0  0  0  0  0
    6.0647    1.8206   -0.4181 C   0  0  0  0  0
    8.2495    2.6674   -1.4379 C   0  0  0  0  0
    9.0582    2.8175   -0.3012 C   0  0  0  0  0
   10.0760    3.7733   -0.2719 C   0  0  0  0  0
   10.2997    4.5913   -1.3772 C   0  0  0  0  0
    9.5048    4.4554   -2.5120 C   0  0  0  0  0
    8.4870    3.5001   -2.5429 C   0  0  0  0  0
    1.0997   -0.4600   -0.4747 H   0  0  0  0  0
    1.6653    1.1883   -0.1591 H   0  0  0  0  0
    2.5368   -0.2015    0.5210 H   0  0  0  0  0
    2.2258    0.3866   -2.4686 H   0  0  0  0  0
    3.1447   -0.9450   -1.7982 H   0  0  0  0  0
    3.7006    2.0445   -1.5309 H   0  0  0  0  0
    4.5956    0.9156   -2.5328 H   0  0  0  0  0
    4.7875   -1.3119   -0.3710 H   0  0  0  0  0
    6.0514   -0.6511    0.6176 H   0  0  0  0  0
    7.0274   -1.8367   -1.2889 H   0  0  0  0  0
    6.1178   -0.8635   -2.4363 H   0  0  0  0  0
    8.3226    0.0601   -0.5415 H   0  0  0  0  0
    8.3898    0.0199   -2.2982 H   0  0  0  0  0
    6.6564    1.7325   -2.4836 H   0  0  0  0  0
    6.5258    1.7896    0.5780 H   0  0  0  0  0
    5.6308    2.8263   -0.4966 H   0  0  0  0  0
    8.9089    2.1872    0.5723 H   0  0  0  0  0
   10.6973    3.8769    0.6139 H   0  0  0  0  0
   11.0937    5.3327   -1.3541 H   0  0  0  0  0
    9.6783    5.0911   -3.3764 H   0  0  0  0  0
    7.8820    3.4092   -3.4424 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  6 26  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
  8 29  1  0  0  0
  9 30  1  0  0  0
  9 31  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 12 13  2  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 14 15  2  0  0  0
 14 35  1  0  0  0
 15 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL544711

>  <PubChem CID>
12937946

>  <Formula>
C14H21N

>  <Molecular Weight>
203.329000

>  <IUPAC Name>
3-phenyl-1-propylpiperidine

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCCN1CCCC(C1)C2=CC=CC=C2

>  <Isomeric SMILES>
CCCN1CCCC(C1)C2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C14H21N/c1-2-10-15-11-6-9-14(12-15)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3

>  <InChI Key>
BJGOULYFYANDMK-UHFFFAOYSA-N

