
 CHEMBL476264

 51 52  0  0  0  0  0  0  0  0999 V2000
    3.3199   -1.5634   -0.4021 C   0  0  0  0  0
    2.7045   -1.6361   -1.8029 C   0  0  0  0  0
    1.1758   -1.7133   -1.7466 C   0  0  0  0  0
    0.5622   -0.3699   -1.3702 C   0  0  0  0  0
    1.0871    0.7606   -2.2588 C   0  0  0  0  0
    2.5587    0.8361   -2.2550 N   0  0  0  0  0
    3.1419   -0.4514   -2.6816 C   0  0  0  0  0
    3.0582    1.9120   -3.1357 C   0  0  0  0  0
    2.6889    3.3257   -2.6754 C   0  0  0  0  0
    3.2907    4.3804   -3.6023 C   0  0  0  0  0
    2.8931    5.6655   -3.1292 O   0  0  0  0  0
    3.2518    6.7165   -4.0284 C   0  0  0  0  0
    2.8352    8.0426   -3.3987 C   0  0  0  0  0
    3.0447    9.1167   -4.3173 O   0  0  0  0  0
    2.6802   10.3648   -3.8749 C   0  0  0  0  0
    2.2161   10.6641   -2.5910 C   0  0  0  0  0
    1.8995   11.9784   -2.2460 C   0  0  0  0  0
    2.0414   12.9974   -3.1842 C   0  0  0  0  0
    2.4819   12.7103   -4.4767 C   0  0  0  0  0
    2.8103   11.3947   -4.8157 C   0  0  0  0  0
    2.5809   13.7981   -5.3003 O   0  0  0  0  0
    2.5240   13.5321   -6.6958 C   0  0  0  0  0
    4.4132   -1.5803   -0.4634 H   0  0  0  0  0
    3.0090   -2.4244    0.1993 H   0  0  0  0  0
    3.0304   -0.6551    0.1347 H   0  0  0  0  0
    3.0723   -2.5594   -2.2691 H   0  0  0  0  0
    0.8505   -2.4867   -1.0416 H   0  0  0  0  0
    0.7980   -2.0099   -2.7340 H   0  0  0  0  0
   -0.5286   -0.4291   -1.4615 H   0  0  0  0  0
    0.7752   -0.1431   -0.3186 H   0  0  0  0  0
    0.7112    0.6231   -3.2810 H   0  0  0  0  0
    0.6566    1.6911   -1.8753 H   0  0  0  0  0
    2.8649   -0.6624   -3.7237 H   0  0  0  0  0
    4.2374   -0.3867   -2.6521 H   0  0  0  0  0
    2.7072    1.7562   -4.1647 H   0  0  0  0  0
    4.1542    1.8583   -3.1630 H   0  0  0  0  0
    3.0353    3.4982   -1.6487 H   0  0  0  0  0
    1.6026    3.4683   -2.6580 H   0  0  0  0  0
    2.9259    4.2334   -4.6254 H   0  0  0  0  0
    4.3846    4.3185   -3.5992 H   0  0  0  0  0
    2.7439    6.5774   -4.9896 H   0  0  0  0  0
    4.3329    6.7091   -4.2117 H   0  0  0  0  0
    3.4319    8.1934   -2.4898 H   0  0  0  0  0
    1.7759    7.9818   -3.1195 H   0  0  0  0  0
    2.0956    9.9016   -1.8288 H   0  0  0  0  0
    1.5449   12.2077   -1.2447 H   0  0  0  0  0
    1.7990   14.0213   -2.9112 H   0  0  0  0  0
    3.1878   11.1449   -5.8025 H   0  0  0  0  0
    2.4502   14.4935   -7.2130 H   0  0  0  0  0
    1.6349   12.9465   -6.9510 H   0  0  0  0  0
    3.4373   13.0385   -7.0416 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6  8  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 10 40  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
 12 42  1  0  0  0
 13 14  1  0  0  0
 13 43  1  0  0  0
 13 44  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 45  1  0  0  0
 17 18  2  0  0  0
 17 46  1  0  0  0
 18 19  1  0  0  0
 18 47  1  0  0  0
 19 20  2  0  0  0
 19 21  1  0  0  0
 20 48  1  0  0  0
 21 22  1  0  0  0
 22 49  1  0  0  0
 22 50  1  0  0  0
 22 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL476264

>  <PubChem CID>
44582618

>  <Formula>
C18H29NO3

>  <Molecular Weight>
307.434000

>  <IUPAC Name>
1-[3-[2-(3-methoxyphenoxy)ethoxy]propyl]-3-methylpiperidine

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1CCCN(C1)CCCOCCOC2=CC=CC(=C2)OC

>  <Isomeric SMILES>
CC1CCCN(C1)CCCOCCOC2=CC=CC(=C2)OC

>  <InChI Std. ID>
InChI=1S/C18H29NO3/c1-16-6-4-9-19(15-16)10-5-11-21-12-13-22-18-8-3-7-17(14-18)20-2/h3,7-8,14,16H,4-6,9-13,15H2,1-2H3

>  <InChI Key>
ACENXONEAYFLHG-UHFFFAOYSA-N

