
 CHEMBL137163

 44 46  0  0  0  0  0  0  0  0999 V2000
    0.5295    4.1957   -2.6563 C   0  0  0  0  0
    1.3112    4.3051   -1.3787 C   0  0  0  0  0
    0.4660    3.0813   -1.6406 C   0  0  0  0  0
    1.1064    1.7598   -1.9515 C   0  0  0  0  0
    1.0040    0.8270   -0.8205 N   0  0  0  0  0
    1.4493   -0.5208   -1.2076 C   0  0  0  0  0
    2.9667   -0.6471   -1.3833 C   0  0  0  0  0
    3.7510   -0.1653   -0.1506 C   0  0  0  0  0
    3.2369    1.2184    0.2815 C   0  0  0  0  0
    1.7098    1.2739    0.3881 C   0  0  0  0  0
    3.6861   -1.1675    1.0196 C   0  0  0  0  0
    4.3478   -2.4960    0.6812 C   0  0  0  0  0
    5.3916   -2.5403    0.0296 O   0  0  0  0  0
    3.7727   -3.7717    1.2033 C   0  0  0  0  0
    4.6235   -4.8797    1.3049 C   0  0  0  0  0
    4.1481   -6.0983    1.8002 C   0  0  0  0  0
    2.8066   -6.2490    2.1523 C   0  0  0  0  0
    1.9713   -5.1319    2.0897 C   0  0  0  0  0
    2.4385   -3.9069    1.5961 C   0  0  0  0  0
    2.3667   -7.4227    2.7718 N   0  0  0  0  0
   -0.3460    4.8250   -2.7710 H   0  0  0  0  0
    1.0777    4.0286   -3.5766 H   0  0  0  0  0
    0.9662    5.0062   -0.6276 H   0  0  0  0  0
    2.3902    4.2163   -1.4379 H   0  0  0  0  0
   -0.4708    2.9706   -1.1051 H   0  0  0  0  0
    2.1417    1.9025   -2.2809 H   0  0  0  0  0
    0.5592    1.3398   -2.8051 H   0  0  0  0  0
    0.9467   -0.8357   -2.1307 H   0  0  0  0  0
    1.1108   -1.2322   -0.4440 H   0  0  0  0  0
    3.2173   -1.6862   -1.6243 H   0  0  0  0  0
    3.2831   -0.0579   -2.2531 H   0  0  0  0  0
    4.8041   -0.0548   -0.4407 H   0  0  0  0  0
    3.6785    1.5023    1.2445 H   0  0  0  0  0
    3.5788    1.9682   -0.4424 H   0  0  0  0  0
    1.3839    0.6419    1.2243 H   0  0  0  0  0
    1.3977    2.2840    0.6756 H   0  0  0  0  0
    2.6556   -1.2943    1.3465 H   0  0  0  0  0
    4.2378   -0.7643    1.8786 H   0  0  0  0  0
    5.6702   -4.7968    1.0170 H   0  0  0  0  0
    4.8406   -6.9294    1.9063 H   0  0  0  0  0
    0.9388   -5.2055    2.4235 H   0  0  0  0  0
    1.7285   -3.0901    1.5316 H   0  0  0  0  0
    1.3649   -7.5743    2.7068 H   0  0  0  0  0
    2.8956   -8.2488    2.5093 H   0  0  0  0  0
  1  3  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 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5 10  1  0  0  0
  5  6  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 11  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 11 38  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 16 17  2  0  0  0
 16 40  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 41  1  0  0  0
 19 42  1  0  0  0
 20 43  1  0  0  0
 20 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL137163

>  <PubChem CID>
10038912

>  <Formula>
C17H24N2O

>  <Molecular Weight>
272.392000

>  <IUPAC Name>
1-(4-aminophenyl)-2-[1-(cyclopropylmethyl)piperidin-4-yl]ethanone

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC1CN2CCC(CC2)CC(=O)C3=CC=C(C=C3)N

>  <Isomeric SMILES>
C1CC1CN2CCC(CC2)CC(=O)C3=CC=C(C=C3)N

>  <InChI Std. ID>
InChI=1S/C17H24N2O/c18-16-5-3-15(4-6-16)17(20)11-13-7-9-19(10-8-13)12-14-1-2-14/h3-6,13-14H,1-2,7-12,18H2

>  <InChI Key>
AHCCLQJDISTJNU-UHFFFAOYSA-N

