
 SR-01000446204

 50 52  0  0  0  0  0  0  0  0999 V2000
    1.0905    8.3434    7.0590 C   0  0  0  0  0
    1.1000    9.7341    6.7554 O   0  0  0  0  0
    0.9132   10.0801    5.4439 C   0  0  0  0  0
    0.8769    9.1915    4.3671 C   0  0  0  0  0
    0.6597    9.6577    3.0632 C   0  0  0  0  0
    0.4987   11.0265    2.8453 C   0  0  0  0  0
    0.5503   11.9217    3.9137 C   0  0  0  0  0
    0.7573   11.4460    5.2092 C   0  0  0  0  0
    0.5818    8.8720    1.9392 O   0  0  0  0  0
    0.7146    7.4683    2.1592 C   0  0  0  0  0
    0.4319    6.6705    0.8889 C   0  0  0  0  0
    1.3806    7.0112   -0.2830 C   0  0  0  0  0
    1.3345    5.9482   -1.3137 N   0  0  0  0  0
    2.3867    6.1415   -2.3356 C   0  0  0  0  0
    2.4183    4.9908   -3.3746 C   0  0  0  0  0
    1.0924    4.7651   -3.9924 N   0  0  0  0  0
   -0.0132    4.7079   -3.0090 C   0  0  0  0  0
    0.0345    5.8926   -2.0234 C   0  0  0  0  0
    1.0521    3.6498   -4.8647 C   0  0  0  0  0
    2.0188    3.4815   -5.8583 C   0  0  0  0  0
    1.9773    2.3658   -6.6977 C   0  0  0  0  0
    0.9562    1.4415   -6.5494 C   0  0  0  0  0
    0.0142    1.6836   -5.5720 C   0  0  0  0  0
    0.0427    2.7542   -4.7482 N   0  0  0  0  0
    0.5577    5.2730    1.2070 O   0  0  0  0  0
    1.1739    8.2346    8.1441 H   0  0  0  0  0
    1.9500    7.8365    6.6077 H   0  0  0  0  0
    0.1492    7.8759    6.7492 H   0  0  0  0  0
    1.0202    8.1361    4.5487 H   0  0  0  0  0
    0.3308   11.3991    1.8377 H   0  0  0  0  0
    0.4257   12.9871    3.7403 H   0  0  0  0  0
    0.7916   12.1439    6.0419 H   0  0  0  0  0
   -0.0048    7.1289    2.9162 H   0  0  0  0  0
    1.7268    7.2378    2.5166 H   0  0  0  0  0
   -0.6039    6.8522    0.5818 H   0  0  0  0  0
    2.4034    7.0467    0.1143 H   0  0  0  0  0
    1.1528    7.9995   -0.6993 H   0  0  0  0  0
    3.3707    6.1848   -1.8530 H   0  0  0  0  0
    2.2383    7.0970   -2.8571 H   0  0  0  0  0
    3.1567    5.2690   -4.1352 H   0  0  0  0  0
    2.7657    4.0737   -2.8807 H   0  0  0  0  0
   -0.9817    4.7417   -3.5241 H   0  0  0  0  0
    0.0387    3.7778   -2.4247 H   0  0  0  0  0
   -0.1541    6.8329   -2.5573 H   0  0  0  0  0
   -0.7867    5.7484   -1.3139 H   0  0  0  0  0
    2.8031    4.2143   -6.0037 H   0  0  0  0  0
    2.7348    2.2297   -7.4631 H   0  0  0  0  0
    0.8899    0.5644   -7.1818 H   0  0  0  0  0
   -0.8184    1.0046   -5.4133 H   0  0  0  0  0
    0.8374    4.8531    0.3673 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  7  8  2  0  0  0
  7 31  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 10 34  1  0  0  0
 11 25  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 12 13  1  0  0  0
 12 36  1  0  0  0
 12 37  1  0  0  0
 13 18  1  0  0  0
 13 14  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
 15 40  1  0  0  0
 15 41  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  1  0  0  0
 17 42  1  0  0  0
 17 43  1  0  0  0
 18 44  1  0  0  0
 18 45  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 46  1  0  0  0
 21 22  2  0  0  0
 21 47  1  0  0  0
 22 23  1  0  0  0
 22 48  1  0  0  0
 23 24  2  0  0  0
 23 49  1  0  0  0
 25 50  1  0  0  0
M  END

>  <Chemical Name>
SR-01000446204

>  <PubChem CID>
2770277

>  <Formula>
C19H25N3O3

>  <Molecular Weight>
343.427000

>  <IUPAC Name>
1-(3-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC=CC=N3)O

>  <Isomeric SMILES>
COC1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC=CC=N3)O

>  <InChI Std. ID>
InChI=1S/C19H25N3O3/c1-24-17-5-4-6-18(13-17)25-15-16(23)14-21-9-11-22(12-10-21)19-7-2-3-8-20-19/h2-8,13,16,23H,9-12,14-15H2,1H3

>  <InChI Key>
JRPAOAIMEPGWPZ-UHFFFAOYSA-N

