
 tolylpiperidine, 9g

 43 45  0  0  0  0  0  0  0  0999 V2000
    1.0854   -0.5626    1.3034 C   0  0  0  0  0
    2.4175   -0.1510    0.7169 C   0  0  0  0  0
    2.5941    1.1231    0.1024 C   0  0  0  0  0
    3.8388    1.4063   -0.4838 C   0  0  0  0  0
    4.8819    0.4821   -0.4698 C   0  0  0  0  0
    4.7097   -0.7549    0.1370 C   0  0  0  0  0
    3.4935   -1.0711    0.7445 C   0  0  0  0  0
    3.2592   -2.2798    1.3515 O   0  0  0  0  0
    4.3942   -2.9401    1.9111 C   0  0  0  0  0
    3.9213   -3.8837    2.9813 C   0  0  0  0  0
    3.0421   -4.9205    2.6850 C   0  0  0  0  0
    2.5901   -5.8161    3.5936 N   0  0  0  0  0
    3.0256   -5.6653    4.8617 C   0  0  0  0  0
    3.8958   -4.6655    5.2637 C   0  0  0  0  0
    4.3504   -3.7637    4.3064 C   0  0  0  0  0
    1.4549    2.1473    0.0392 C   0  0  0  0  0
    1.8447    3.6238    0.2768 C   0  0  0  0  0
    2.1904    4.4231   -0.9806 C   0  0  0  0  0
    1.2348    4.2188   -2.0653 N   0  0  0  0  0
    1.1333    2.8002   -2.4077 C   0  0  0  0  0
    0.6064    1.9842   -1.2321 C   0  0  0  0  0
    0.6999    0.1976    1.9876 H   0  0  0  0  0
    1.1457   -1.4795    1.8970 H   0  0  0  0  0
    0.3654   -0.7373    0.4980 H   0  0  0  0  0
    4.0233    2.3477   -0.9867 H   0  0  0  0  0
    5.8276    0.7273   -0.9466 H   0  0  0  0  0
    5.5325   -1.4610    0.1030 H   0  0  0  0  0
    5.0952   -2.2188    2.3502 H   0  0  0  0  0
    4.9126   -3.5121    1.1319 H   0  0  0  0  0
    2.6619   -5.0634    1.6763 H   0  0  0  0  0
    2.6435   -6.3920    5.5726 H   0  0  0  0  0
    4.2114   -4.5891    6.2980 H   0  0  0  0  0
    5.0318   -2.9694    4.6006 H   0  0  0  0  0
    0.7951    1.9223    0.8837 H   0  0  0  0  0
    2.6607    3.7012    1.0055 H   0  0  0  0  0
    0.9792    4.1189    0.7406 H   0  0  0  0  0
    2.2037    5.4898   -0.7266 H   0  0  0  0  0
    3.1999    4.2018   -1.3364 H   0  0  0  0  0
    0.3180    4.5601   -1.7754 H   0  0  0  0  0
    0.4439    2.6970   -3.2531 H   0  0  0  0  0
    2.1017    2.4196   -2.7514 H   0  0  0  0  0
   -0.4154    2.3226   -1.0106 H   0  0  0  0  0
    0.5220    0.9304   -1.5230 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 16  1  0  0  0
  4  5  2  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  6  7  2  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
  9 29  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 31  1  0  0  0
 14 15  2  0  0  0
 14 32  1  0  0  0
 15 33  1  0  0  0
 16 21  1  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 17 18  1  0  0  0
 17 35  1  0  0  0
 17 36  1  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 18 38  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  1  0  0  0
 20 40  1  0  0  0
 20 41  1  0  0  0
 21 42  1  0  0  0
 21 43  1  0  0  0
M  END

>  <Chemical Name>
tolylpiperidine, 9g

>  <PubChem CID>
25263319

>  <Formula>
C18H22N2O

>  <Molecular Weight>
282.387000

>  <IUPAC Name>
3-[(2-methyl-3-piperidin-4-ylphenoxy)methyl]pyridine

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(C=CC=C1OCC2=CN=CC=C2)C3CCNCC3

>  <Isomeric SMILES>
CC1=C(C=CC=C1OCC2=CN=CC=C2)C3CCNCC3

>  <InChI Std. ID>
InChI=1S/C18H22N2O/c1-14-17(16-7-10-19-11-8-16)5-2-6-18(14)21-13-15-4-3-9-20-12-15/h2-6,9,12,16,19H,7-8,10-11,13H2,1H3

>  <InChI Key>
ANXSUZBBWPTUDU-UHFFFAOYSA-N

