
 3-(3,4-Dimethylphenyl)-1-propyl-piperidine hydrochloride

 44 44  0  0  0  0  0  0  0  0999 V2000
    1.0329    0.4858   -0.9560 C   0  0  0  0  0
    2.4092    1.0229   -0.5739 C   0  0  0  0  0
    3.5259    0.1812   -1.2125 C   0  0  0  0  0
    4.8782    0.6200   -0.7873 N   0  0  0  0  0
    5.9240   -0.3707   -1.1360 C   0  0  0  0  0
    6.2258   -0.3889   -2.6457 C   0  0  0  0  0
    6.6551    1.0061   -3.1085 C   0  0  0  0  0
    5.5632    2.0314   -2.7567 C   0  0  0  0  0
    5.2748    1.9775   -1.2373 C   0  0  0  0  0
    5.9543    3.4330   -3.1935 C   0  0  0  0  0
    5.1682    4.1129   -4.1392 C   0  0  0  0  0
    5.5058    5.4114   -4.5563 C   0  0  0  0  0
    6.6504    6.0419   -4.0154 C   0  0  0  0  0
    7.4331    5.3585   -3.0712 C   0  0  0  0  0
    7.0903    4.0680   -2.6648 C   0  0  0  0  0
    7.0432    7.4344   -4.4351 C   0  0  0  0  0
    4.6407    6.1096   -5.5736 C   0  0  0  0  0
   -2.3189    2.7035   -0.1913 Cl  0  0  0  0  0
    0.2476    1.1076   -0.4794 H   0  0  0  0  0
    0.9142   -0.5624   -0.6089 H   0  0  0  0  0
    0.8967    0.5245   -2.0581 H   0  0  0  0  0
    2.5133    0.9962    0.5324 H   0  0  0  0  0
    2.4584    2.0758   -0.9158 H   0  0  0  0  0
    3.4164    0.1915   -2.3157 H   0  0  0  0  0
    3.3698   -0.8671   -0.8730 H   0  0  0  0  0
    5.6263   -1.3878   -0.7995 H   0  0  0  0  0
    6.8578   -0.1173   -0.5868 H   0  0  0  0  0
    7.0360   -1.1187   -2.8595 H   0  0  0  0  0
    5.3253   -0.7104   -3.2103 H   0  0  0  0  0
    7.6083    1.2712   -2.6010 H   0  0  0  0  0
    6.8358    0.9965   -4.2053 H   0  0  0  0  0
    4.6387    1.7434   -3.2996 H   0  0  0  0  0
    6.1884    2.2721   -0.6760 H   0  0  0  0  0
    4.5093    2.7292   -0.9655 H   0  0  0  0  0
    4.2905    3.6308   -4.5521 H   0  0  0  0  0
    8.3125    5.8270   -2.6472 H   0  0  0  0  0
    7.7124    3.5668   -1.9349 H   0  0  0  0  0
    7.9624    7.7771   -3.9141 H   0  0  0  0  0
    6.2268    8.1462   -4.1918 H   0  0  0  0  0
    7.2392    7.4587   -5.5273 H   0  0  0  0  0
    3.7867    5.4753   -5.8933 H   0  0  0  0  0
    5.2407    6.3535   -6.4751 H   0  0  0  0  0
    4.2285    7.0451   -5.1414 H   0  0  0  0  0
   -1.1392    3.2205    0.2925 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
  8 32  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 36  1  0  0  0
 15 37  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
 16 40  1  0  0  0
 17 41  1  0  0  0
 17 42  1  0  0  0
 17 43  1  0  0  0
 18 44  1  0  0  0
M  END

>  <Chemical Name>
3-(3,4-Dimethylphenyl)-1-propyl-piperidine hydrochloride

>  <PubChem CID>
45264409

>  <Formula>
C16H26ClN

>  <Molecular Weight>
267.841000

>  <IUPAC Name>
3-(3,4-dimethylphenyl)-1-propylpiperidine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

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

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

>  <InChI Std. ID>
InChI=1S/C16H25N.ClH/c1-4-9-17-10-5-6-16(12-17)15-8-7-13(2)14(3)11-15;/h7-8,11,16H,4-6,9-10,12H2,1-3H3;1H

>  <InChI Key>
FYCADJCOSUMNIA-UHFFFAOYSA-N

