
 CHEMBL144114

 42 43  0  0  0  0  0  0  0  0999 V2000
    1.9108    0.3866    0.6796 C   0  0  0  0  0
    2.2644    0.2229   -0.7918 C   0  0  0  0  0
    3.4165    1.1310   -1.2485 C   0  0  0  0  0
    4.6715    0.9607   -0.5013 N   0  0  0  0  0
    5.2752   -0.3738   -0.6256 C   0  0  0  0  0
    5.8693   -0.6592   -2.0058 C   0  0  0  0  0
    6.8975    0.4003   -2.3924 C   0  0  0  0  0
    6.3202    1.8188   -2.2411 C   0  0  0  0  0
    5.6625    2.0002   -0.8513 C   0  0  0  0  0
    7.3769    2.8773   -2.5210 C   0  0  0  0  0
    8.5153    3.0120   -1.7110 C   0  0  0  0  0
    9.4841    3.9878   -1.9784 C   0  0  0  0  0
    9.3221    4.8232   -3.0885 C   0  0  0  0  0
    8.1978    4.7072   -3.9141 C   0  0  0  0  0
    7.2296    3.7373   -3.6205 C   0  0  0  0  0
    8.0390    5.6235   -5.0905 C   0  0  0  0  0
   10.7088    4.0891   -1.1173 C   0  0  0  0  0
    1.0513   -0.2425    0.9303 H   0  0  0  0  0
    1.6479    1.4244    0.9049 H   0  0  0  0  0
    2.7410    0.0910    1.3271 H   0  0  0  0  0
    1.3775    0.4664   -1.3910 H   0  0  0  0  0
    2.4906   -0.8285   -1.0015 H   0  0  0  0  0
    3.0736    2.1664   -1.1254 H   0  0  0  0  0
    3.5647    0.9832   -2.3238 H   0  0  0  0  0
    4.5602   -1.1589   -0.3586 H   0  0  0  0  0
    6.0728   -0.4582    0.1252 H   0  0  0  0  0
    6.3491   -1.6441   -1.9999 H   0  0  0  0  0
    5.0767   -0.7015   -2.7611 H   0  0  0  0  0
    7.7838    0.2734   -1.7578 H   0  0  0  0  0
    7.2290    0.2341   -3.4248 H   0  0  0  0  0
    5.5307    1.9282   -2.9963 H   0  0  0  0  0
    6.4322    1.9927   -0.0683 H   0  0  0  0  0
    5.2021    2.9948   -0.7819 H   0  0  0  0  0
    8.6575    2.3492   -0.8596 H   0  0  0  0  0
   10.0782    5.5728   -3.3150 H   0  0  0  0  0
    6.3548    3.6478   -4.2615 H   0  0  0  0  0
    7.1585    5.3647   -5.6874 H   0  0  0  0  0
    8.9152    5.5557   -5.7441 H   0  0  0  0  0
    7.9246    6.6576   -4.7490 H   0  0  0  0  0
   11.1600    5.0843   -1.1880 H   0  0  0  0  0
   11.4481    3.3458   -1.4303 H   0  0  0  0  0
   10.4560    3.9207   -0.0655 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
  8 31  1  0  0  0
  9 32  1  0  0  0
  9 33  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 15 36  1  0  0  0
 16 37  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
 17 40  1  0  0  0
 17 41  1  0  0  0
 17 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL144114

>  <PubChem CID>
10775901

>  <Formula>
C16H25N

>  <Molecular Weight>
231.383000

>  <IUPAC Name>
3-(3,5-dimethylphenyl)-1-propylpiperidine

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

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

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

>  <InChI Std. ID>
InChI=1S/C16H25N/c1-4-7-17-8-5-6-15(12-17)16-10-13(2)9-14(3)11-16/h9-11,15H,4-8,12H2,1-3H3

>  <InChI Key>
AMPXVBOIQBSQML-UHFFFAOYSA-N

