
 CHEMBL139102

 43 44  0  0  0  0  0  0  0  0999 V2000
   -2.0958    1.0652    0.9723 C   0  0  0  0  0
   -1.0198    2.0996    1.1298 C   0  0  0  0  0
   -0.6843    0.6351    1.2881 C   0  0  0  0  0
    0.1235   -0.0858    0.2477 C   0  0  0  0  0
    1.5074   -0.3030    0.6909 N   0  0  0  0  0
    2.2369   -1.1740   -0.2447 C   0  0  0  0  0
    2.5962   -0.5008   -1.5749 C   0  0  0  0  0
    3.3339    0.8312   -1.3869 C   0  0  0  0  0
    2.5956    1.7071   -0.3576 C   0  0  0  0  0
    2.2602    0.9398    0.9230 C   0  0  0  0  0
    4.8082    0.6131   -1.0016 C   0  0  0  0  0
    5.4514    1.8911   -0.9847 O   0  0  0  0  0
    6.5838    1.9877   -0.2281 C   0  0  0  0  0
    7.4598    0.9448    0.0408 C   0  0  0  0  0
    8.5698    1.2164    0.8244 C   0  0  0  0  0
    8.8548    2.4348    1.3354 N   0  0  0  0  0
    7.9938    3.4301    1.0392 C   0  0  0  0  0
    6.8617    3.2594    0.2633 C   0  0  0  0  0
    1.5151    4.6274    1.8731 O   0  0  0  0  0
   -2.8382    0.9808    1.7588 H   0  0  0  0  0
   -2.4842    0.8815   -0.0239 H   0  0  0  0  0
   -1.0257    2.7109    2.0231 H   0  0  0  0  0
   -0.6759    2.6157    0.2411 H   0  0  0  0  0
   -0.5065    0.2497    2.2862 H   0  0  0  0  0
    0.0706    0.4393   -0.7124 H   0  0  0  0  0
   -0.3562   -1.0610    0.0992 H   0  0  0  0  0
    1.6587   -2.0861   -0.4410 H   0  0  0  0  0
    3.1551   -1.5199    0.2463 H   0  0  0  0  0
    3.2005   -1.1868   -2.1798 H   0  0  0  0  0
    1.6792   -0.3198   -2.1499 H   0  0  0  0  0
    3.3260    1.3740   -2.3419 H   0  0  0  0  0
    3.1894    2.5931   -0.1023 H   0  0  0  0  0
    1.6731    2.0874   -0.8109 H   0  0  0  0  0
    3.1900    0.6835    1.4468 H   0  0  0  0  0
    1.7297    1.5948    1.6204 H   0  0  0  0  0
    5.2988   -0.0129   -1.7555 H   0  0  0  0  0
    4.8806    0.1191   -0.0261 H   0  0  0  0  0
    7.3115   -0.0546   -0.3468 H   0  0  0  0  0
    9.2863    0.4370    1.0677 H   0  0  0  0  0
    8.2433    4.4017    1.4553 H   0  0  0  0  0
    6.2001    4.0929    0.0555 H   0  0  0  0  0
    1.5861    4.6005    2.8399 H   0  0  0  0  0
    0.5990    4.9017    1.7155 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  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
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5 10  1  0  0  0
  5  6  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 11  1  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
  9 33  1  0  0  0
 10 34  1  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 11 37  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 15 16  2  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 40  1  0  0  0
 18 41  1  0  0  0
 19 42  1  0  0  0
 19 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL139102

>  <PubChem CID>
44358006

>  <Formula>
C15H24N2O2

>  <Molecular Weight>
264.369000

>  <IUPAC Name>
4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]pyridine;hydrate

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC1CN2CCC(CC2)COC3=CC=NC=C3.O

>  <Isomeric SMILES>
C1CC1CN2CCC(CC2)COC3=CC=NC=C3.O

>  <InChI Std. ID>
InChI=1S/C15H22N2O.H2O/c1-2-13(1)11-17-9-5-14(6-10-17)12-18-15-3-7-16-8-4-15;/h3-4,7-8,13-14H,1-2,5-6,9-12H2;1H2

>  <InChI Key>
FWARCKZCGVBRTO-UHFFFAOYSA-N

