
 1-(1-Benzylpiperidin-4-yl)-1H-pyrrole-2-carbaldehyde

 40 42  0  0  0  0  0  0  0  0999 V2000
    0.8399    1.3274    0.0317 C   0  0  0  0  0
   -0.6900    1.3808    0.1569 C   0  0  0  0  0
   -1.3847    0.2309   -0.4378 N   0  0  0  0  0
   -0.8021   -1.0482    0.0030 C   0  0  0  0  0
    0.7055   -1.1266   -0.2036 C   0  0  0  0  0
    1.4415    0.0031    0.5355 C   0  0  0  0  0
    1.4677   -0.1756    1.9975 N   0  0  0  0  0
    0.9604    0.6973    2.9329 C   0  0  0  0  0
    1.0480    0.1225    4.1794 C   0  0  0  0  0
    1.7304   -1.0961    4.0185 C   0  0  0  0  0
    2.0667   -1.2325    2.6781 C   0  0  0  0  0
    2.8918   -2.2839    2.1238 C   0  0  0  0  0
    3.3221   -2.3243    0.9750 O   0  0  0  0  0
   -2.8226    0.2143   -0.0723 C   0  0  0  0  0
   -3.6191    1.4459   -0.4443 C   0  0  0  0  0
   -4.2177    1.5599   -1.7054 C   0  0  0  0  0
   -4.9980    2.6752   -2.0187 C   0  0  0  0  0
   -5.1714    3.6949   -1.0835 C   0  0  0  0  0
   -4.5666    3.6021    0.1675 C   0  0  0  0  0
   -3.8003    2.4815    0.4876 C   0  0  0  0  0
    1.1017    1.4458   -1.0295 H   0  0  0  0  0
    1.2879    2.1855    0.5469 H   0  0  0  0  0
   -1.0131    2.2996   -0.3482 H   0  0  0  0  0
   -0.9756    1.4844    1.2075 H   0  0  0  0  0
   -1.0271   -1.2391    1.0605 H   0  0  0  0  0
   -1.2600   -1.8627   -0.5728 H   0  0  0  0  0
    1.0428   -2.1172    0.1103 H   0  0  0  0  0
    0.9275   -1.0553   -1.2770 H   0  0  0  0  0
    2.5005   -0.0037    0.2434 H   0  0  0  0  0
    0.5577    1.6615    2.6652 H   0  0  0  0  0
    0.6944    0.5614    5.1033 H   0  0  0  0  0
    2.0092   -1.7783    4.8115 H   0  0  0  0  0
    3.1523   -3.0882    2.8296 H   0  0  0  0  0
   -2.9427    0.0395    1.0065 H   0  0  0  0  0
   -3.3020   -0.6445   -0.5625 H   0  0  0  0  0
   -4.0900    0.7714   -2.4435 H   0  0  0  0  0
   -5.4740    2.7468   -2.9930 H   0  0  0  0  0
   -5.7785    4.5619   -1.3298 H   0  0  0  0  0
   -4.6957    4.3978    0.8962 H   0  0  0  0  0
   -3.3435    2.4169    1.4725 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 11  1  0  0  0
  8  9  2  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  2  0  0  0
 10 32  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 33  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 18  2  0  0  0
 17 37  1  0  0  0
 18 19  1  0  0  0
 18 38  1  0  0  0
 19 20  2  0  0  0
 19 39  1  0  0  0
 20 40  1  0  0  0
M  END

>  <Chemical Name>
1-(1-Benzylpiperidin-4-yl)-1H-pyrrole-2-carbaldehyde

>  <PubChem CID>
3156990

>  <Formula>
C17H20N2O

>  <Molecular Weight>
268.360000

>  <IUPAC Name>
1-(1-benzylpiperidin-4-yl)pyrrole-2-carbaldehyde

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CCC1N2C=CC=C2C=O)CC3=CC=CC=C3

>  <Isomeric SMILES>
C1CN(CCC1N2C=CC=C2C=O)CC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C17H20N2O/c20-14-17-7-4-10-19(17)16-8-11-18(12-9-16)13-15-5-2-1-3-6-15/h1-7,10,14,16H,8-9,11-13H2

>  <InChI Key>
DYCKCLZHSRKOSL-UHFFFAOYSA-N

