
 AHOUBRCZNHFOSL-UHFFFAOYSA-N

 44 47  0  0  0  0  0  0  0  0999 V2000
    0.8257    1.4358    0.1108 C   0  0  0  0  0
   -0.6806    1.6404    0.2624 C   0  0  0  0  0
   -1.4553    0.5568   -0.3311 N   0  0  0  0  0
   -1.0816   -0.7692    0.1645 C   0  0  0  0  0
    0.4120   -1.0506   -0.0502 C   0  0  0  0  0
    1.3173    0.0458    0.5590 C   0  0  0  0  0
    1.5856   -0.0275    2.0617 C   0  0  0  0  0
    0.5885    0.1427    3.0351 C   0  0  0  0  0
    0.8978    0.1215    4.3983 C   0  0  0  0  0
    2.2083   -0.0802    4.8020 C   0  0  0  0  0
    3.2155   -0.2674    3.8673 C   0  0  0  0  0
    2.9062   -0.2394    2.5043 C   0  0  0  0  0
    2.5039   -0.0907    6.1085 F   0  0  0  0  0
    0.8076   -2.4745    0.3722 C   0  0  0  0  0
    0.0173   -3.3959   -0.3849 O   0  0  0  0  0
    0.2466   -4.7323   -0.2177 C   0  0  0  0  0
   -0.6523   -5.5603   -0.9015 C   0  0  0  0  0
   -0.4942   -6.9246   -0.7962 C   0  0  0  0  0
    0.5184   -7.4770   -0.0502 C   0  0  0  0  0
    1.4232   -6.6924    0.6308 C   0  0  0  0  0
    1.2817   -5.3005    0.5469 C   0  0  0  0  0
    0.5019   -8.8358   -0.0776 O   0  0  0  0  0
   -0.6454   -9.0762   -0.9195 C   0  0  0  0  0
   -1.2779   -7.8667   -1.3859 O   0  0  0  0  0
    1.0737    1.5547   -0.9534 H   0  0  0  0  0
    1.3640    2.2313    0.6402 H   0  0  0  0  0
   -0.9548    2.5735   -0.2434 H   0  0  0  0  0
   -0.9583    1.7804    1.3103 H   0  0  0  0  0
   -2.4496    0.7132   -0.1650 H   0  0  0  0  0
   -1.3676   -0.8850    1.2141 H   0  0  0  0  0
   -1.6775   -1.5027   -0.3903 H   0  0  0  0  0
    0.5605   -1.0074   -1.1416 H   0  0  0  0  0
    2.2977   -0.0828    0.0753 H   0  0  0  0  0
   -0.4480    0.3082    2.7654 H   0  0  0  0  0
    0.1224    0.2689    5.1435 H   0  0  0  0  0
    4.2361   -0.4212    4.2031 H   0  0  0  0  0
    3.7151   -0.3724    1.7883 H   0  0  0  0  0
    0.6274   -2.6308    1.4419 H   0  0  0  0  0
    1.8704   -2.6253    0.1452 H   0  0  0  0  0
   -1.4545   -5.1393   -1.4979 H   0  0  0  0  0
    2.2205   -7.1412    1.2132 H   0  0  0  0  0
    1.9955   -4.6835    1.0830 H   0  0  0  0  0
   -0.3267   -9.6628   -1.7887 H   0  0  0  0  0
   -1.3800   -9.6597   -0.3524 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 14  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 10  2  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 36  1  0  0  0
 12 37  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 16 21  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 18 24  1  0  0  0
 18 19  2  0  0  0
 19 22  1  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 41  1  0  0  0
 21 42  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 23 43  1  0  0  0
 23 44  1  0  0  0
M  END

>  <Chemical Name>
AHOUBRCZNHFOSL-UHFFFAOYSA-N

>  <PubChem CID>
4691

>  <Formula>
C19H20FNO3

>  <Molecular Weight>
329.371000

>  <IUPAC Name>
3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4

>  <Isomeric SMILES>
C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4

>  <InChI Std. ID>
InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2

>  <InChI Key>
AHOUBRCZNHFOSL-UHFFFAOYSA-N

