
 isopropyl 2-[4-(3-chlorophenyl)piperazino]nicotinate

 47 49  0  0  0  0  0  0  0  0999 V2000
    1.7922    1.0365    3.1428 C   0  0  0  0  0
    2.2596    0.9233    1.6945 C   0  0  0  0  0
    1.0662    0.9169    0.7463 C   0  0  0  0  0
    3.0734    2.0649    1.3628 O   0  0  0  0  0
    4.3767    1.9883    1.7563 C   0  0  0  0  0
    4.8741    1.0237    2.3112 O   0  0  0  0  0
    5.0616    3.2812    1.4594 C   0  0  0  0  0
    6.4318    3.3532    1.1460 C   0  0  0  0  0
    7.0198    4.5465    0.8618 N   0  0  0  0  0
    6.2707    5.6687    0.9008 C   0  0  0  0  0
    4.9253    5.6836    1.2033 C   0  0  0  0  0
    4.3128    4.4701    1.4864 C   0  0  0  0  0
    7.2267    2.2096    1.0501 N   0  0  0  0  0
    7.7197    1.7325    2.3602 C   0  0  0  0  0
    8.2426    0.2870    2.2002 C   0  0  0  0  0
    9.3034    0.1827    1.1444 N   0  0  0  0  0
    8.9363    0.8849   -0.1211 C   0  0  0  0  0
    8.3617    2.3036    0.1125 C   0  0  0  0  0
    9.8209   -1.1299    1.0105 C   0  0  0  0  0
   10.2463   -1.8482    2.1426 C   0  0  0  0  0
   10.7177   -3.1614    2.0439 C   0  0  0  0  0
   10.8068   -3.7913    0.8100 C   0  0  0  0  0
   10.4407   -3.0920   -0.3331 C   0  0  0  0  0
    9.9657   -1.7783   -0.2307 C   0  0  0  0  0
   11.1891   -4.0095    3.4672 Cl  0  0  0  0  0
    2.6436    1.0210    3.8321 H   0  0  0  0  0
    1.1219    0.2136    3.4108 H   0  0  0  0  0
    1.2718    1.9850    3.3124 H   0  0  0  0  0
    2.8220   -0.0068    1.5445 H   0  0  0  0  0
    0.4763    1.8337    0.8498 H   0  0  0  0  0
    0.4156    0.0575    0.9363 H   0  0  0  0  0
    1.4064    0.8744   -0.2932 H   0  0  0  0  0
    6.8040    6.5874    0.6701 H   0  0  0  0  0
    4.3667    6.6127    1.2164 H   0  0  0  0  0
    3.2522    4.4558    1.7267 H   0  0  0  0  0
    6.9493    1.7520    3.1374 H   0  0  0  0  0
    8.5326    2.3810    2.7152 H   0  0  0  0  0
    8.6248   -0.0192    3.1787 H   0  0  0  0  0
    7.4070   -0.3741    1.9354 H   0  0  0  0  0
    9.8228    0.9845   -0.7590 H   0  0  0  0  0
    8.1754    0.3032   -0.6568 H   0  0  0  0  0
    9.1491    2.9595    0.5091 H   0  0  0  0  0
    8.0362    2.7062   -0.8547 H   0  0  0  0  0
   10.2288   -1.3836    3.1237 H   0  0  0  0  0
   11.1650   -4.8141    0.7313 H   0  0  0  0  0
   10.5152   -3.5646   -1.3089 H   0  0  0  0  0
    9.6893   -1.2886   -1.1596 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  4  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 11 12  2  0  0  0
 11 34  1  0  0  0
 12 35  1  0  0  0
 13 18  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 17 41  1  0  0  0
 18 42  1  0  0  0
 18 43  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 44  1  0  0  0
 21 22  2  0  0  0
 21 25  1  0  0  0
 22 23  1  0  0  0
 22 45  1  0  0  0
 23 24  2  0  0  0
 23 46  1  0  0  0
 24 47  1  0  0  0
M  END

>  <Chemical Name>
isopropyl 2-[4-(3-chlorophenyl)piperazino]nicotinate

>  <PubChem CID>
3783311

>  <Formula>
C19H22ClN3O2

>  <Molecular Weight>
359.854000

>  <IUPAC Name>
propan-2-yl 2-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-3-carboxylate

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)OC(=O)C1=C(N=CC=C1)N2CCN(CC2)C3=CC(=CC=C3)Cl

>  <Isomeric SMILES>
CC(C)OC(=O)C1=C(N=CC=C1)N2CCN(CC2)C3=CC(=CC=C3)Cl

>  <InChI Std. ID>
InChI=1S/C19H22ClN3O2/c1-14(2)25-19(24)17-7-4-8-21-18(17)23-11-9-22(10-12-23)16-6-3-5-15(20)13-16/h3-8,13-14H,9-12H2,1-2H3

>  <InChI Key>
AEBHMQALVKZIOJ-UHFFFAOYSA-N

