
 CHEMBL553258

 39 40  0  0  0  0  0  0  0  0999 V2000
    1.8841    0.2622    1.4119 C   0  0  0  0  0
    1.7859    0.3066   -0.1056 C   0  0  0  0  0
    2.7707    1.2908   -0.7545 C   0  0  0  0  0
    4.1875    1.0606   -0.4322 N   0  0  0  0  0
    4.7049   -0.2446   -0.8646 C   0  0  0  0  0
    4.8486   -0.3800   -2.3807 C   0  0  0  0  0
    5.7337    0.7247   -2.9514 C   0  0  0  0  0
    5.2668    2.1160   -2.4857 C   0  0  0  0  0
    5.0500    2.1441   -0.9509 C   0  0  0  0  0
    6.2293    3.2047   -2.9584 C   0  0  0  0  0
    7.5505    3.2209   -2.4658 C   0  0  0  0  0
    8.4696    4.1855   -2.8781 C   0  0  0  0  0
    8.0884    5.1563   -3.7937 C   0  0  0  0  0
    6.7886    5.1608   -4.2965 C   0  0  0  0  0
    5.8492    4.1941   -3.8932 C   0  0  0  0  0
    4.4653    4.2588   -4.4812 C   0  0  0  0  0
    1.1046   -0.3905    1.8189 H   0  0  0  0  0
    1.7498    1.2592    1.8437 H   0  0  0  0  0
    2.8516   -0.1301    1.7406 H   0  0  0  0  0
    0.7684    0.6112   -0.3787 H   0  0  0  0  0
    1.9191   -0.7015   -0.5127 H   0  0  0  0  0
    2.4938    2.2955   -0.4081 H   0  0  0  0  0
    2.5975    1.2821   -1.8365 H   0  0  0  0  0
    4.0920   -1.0633   -0.4737 H   0  0  0  0  0
    5.6906   -0.3912   -0.4025 H   0  0  0  0  0
    5.2876   -1.3554   -2.6198 H   0  0  0  0  0
    3.8639   -0.3544   -2.8613 H   0  0  0  0  0
    6.7676    0.5364   -2.6371 H   0  0  0  0  0
    5.7285    0.6721   -4.0471 H   0  0  0  0  0
    4.2874    2.2869   -2.9442 H   0  0  0  0  0
    6.0135    2.0655   -0.4312 H   0  0  0  0  0
    4.6475    3.1202   -0.6489 H   0  0  0  0  0
    7.8831    2.4697   -1.7523 H   0  0  0  0  0
    9.4825    4.1743   -2.4844 H   0  0  0  0  0
    8.8007    5.9093   -4.1192 H   0  0  0  0  0
    6.5108    5.9297   -5.0146 H   0  0  0  0  0
    4.2312    3.3289   -5.0092 H   0  0  0  0  0
    4.3723    5.0748   -5.2063 H   0  0  0  0  0
    3.7263    4.4357   -3.6932 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
  8 30  1  0  0  0
  9 31  1  0  0  0
  9 32  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 13  2  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 15  2  0  0  0
 14 36  1  0  0  0
 15 16  1  0  0  0
 16 37  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL553258

>  <PubChem CID>
11010500

>  <Formula>
C15H23N

>  <Molecular Weight>
217.356000

>  <IUPAC Name>
3-(2-methylphenyl)-1-propylpiperidine

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCCN1CCCC(C1)C2=CC=CC=C2C

>  <Isomeric SMILES>
CCCN1CCCC(C1)C2=CC=CC=C2C

>  <InChI Std. ID>
InChI=1S/C15H23N/c1-3-10-16-11-6-8-14(12-16)15-9-5-4-7-13(15)2/h4-5,7,9,14H,3,6,8,10-12H2,1-2H3

>  <InChI Key>
DSPOQGRZNACTQF-UHFFFAOYSA-N

