
 CHEMBL1202203

 45 48  0  0  0  0  0  0  0  0999 V2000
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   -0.6956    1.1214   -0.5362 C   0  0  0  0  0
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    1.1821   -0.0274    1.7097 C   0  0  0  0  0
    2.0340    1.1096    2.1939 C   0  0  0  0  0
    1.4050    2.4152    2.6006 C   0  0  0  0  0
    1.9900    1.5078    3.6591 C   0  0  0  0  0
    3.2521    1.9246    4.3766 C   0  0  0  0  0
    4.3965    1.1100    4.3879 C   0  0  0  0  0
    5.5580    1.4941    5.0645 C   0  0  0  0  0
    5.5959    2.7037    5.7522 C   0  0  0  0  0
    4.4736    3.5248    5.7654 C   0  0  0  0  0
    3.3153    3.1352    5.0872 C   0  0  0  0  0
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   -4.8789    1.2735   -1.4068 C   0  0  0  0  0
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    1.9343    3.3253    2.3376 H   0  0  0  0  0
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   -2.9769    2.1540   -1.0997 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1202203

>  <PubChem CID>
10541769

>  <Formula>
C19H23N3

>  <Molecular Weight>
293.414000

>  <IUPAC Name>
1-[[(1S,2S)-2-phenylcyclopropyl]methyl]-4-pyridin-3-ylpiperazine

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCN1CC2CC2C3=CC=CC=C3)C4=CN=CC=C4

>  <Isomeric SMILES>
C1CN(CCN1C[C@H]2C[C@@H]2C3=CC=CC=C3)C4=CN=CC=C4

>  <InChI Std. ID>
InChI=1S/C19H23N3/c1-2-5-16(6-3-1)19-13-17(19)15-21-9-11-22(12-10-21)18-7-4-8-20-14-18/h1-8,14,17,19H,9-13,15H2/t17-,19-/m1/s1

>  <InChI Key>
BIBFQQHLGWITIP-IEBWSBKVSA-N

