
 1011-17-2

 27 28  0  0  0  0  0  0  0  0999 V2000
    0.3974    1.3384    0.4079 C   0  0  0  0  0
   -1.0287    0.8813    0.7976 C   0  0  0  0  0
   -1.5369   -0.2498   -0.0094 N   0  0  0  0  0
   -0.5329   -1.3185   -0.2513 C   0  0  0  0  0
    0.8341   -0.7481   -0.6839 C   0  0  0  0  0
    1.3731    0.2406    0.2710 N   0  0  0  0  0
   -2.3262    0.0340   -1.1387 C   0  0  0  0  0
   -2.1510    1.1375   -1.9773 C   0  0  0  0  0
   -2.9658    1.3220   -3.1034 C   0  0  0  0  0
   -3.9758    0.4086   -3.4058 C   0  0  0  0  0
   -4.1846   -0.6888   -2.5772 C   0  0  0  0  0
   -3.3720   -0.8548   -1.4628 C   0  0  0  0  0
   -3.6330   -1.9027   -0.6163 O   0  0  0  0  0
    0.3797    1.9048   -0.5286 H   0  0  0  0  0
    0.7646    2.0341    1.1714 H   0  0  0  0  0
   -1.7213    1.7315    0.7755 H   0  0  0  0  0
   -1.0025    0.5413    1.8409 H   0  0  0  0  0
   -0.4070   -1.8724    0.6879 H   0  0  0  0  0
   -0.8765   -2.0489   -0.9947 H   0  0  0  0  0
    1.5524   -1.5706   -0.7716 H   0  0  0  0  0
    0.7573   -0.2901   -1.6774 H   0  0  0  0  0
    1.4679   -0.2152    1.1790 H   0  0  0  0  0
   -1.3715    1.8669   -1.7939 H   0  0  0  0  0
   -2.8058    2.1823   -3.7478 H   0  0  0  0  0
   -4.6039    0.5578   -4.2795 H   0  0  0  0  0
   -4.9791   -1.3994   -2.7845 H   0  0  0  0  0
   -3.0708   -1.6958    0.1580 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2 16  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  4 19  1  0  0  0
  5  6  1  0  0  0
  5 20  1  0  0  0
  5 21  1  0  0  0
  6 22  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  9 10  2  0  0  0
  9 24  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 11 12  2  0  0  0
 11 26  1  0  0  0
 12 13  1  0  0  0
 13 27  1  0  0  0
M  END

>  <Chemical Name>
1011-17-2

>  <PubChem CID>
70530

>  <Formula>
C10H14N2O

>  <Molecular Weight>
178.235000

>  <IUPAC Name>
2-piperazin-1-ylphenol

>  <XlogP>
1.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCN1)C2=CC=CC=C2O

>  <Isomeric SMILES>
C1CN(CCN1)C2=CC=CC=C2O

>  <InChI Std. ID>
InChI=1S/C10H14N2O/c13-10-4-2-1-3-9(10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2

>  <InChI Key>
UORNTHBBLYBAJJ-UHFFFAOYSA-N

