
 SCHEMBL16944666

 51 53  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL16944666

>  <PubChem CID>
118263708

>  <Formula>
C18H27N3O3

>  <Molecular Weight>
333.432000

>  <IUPAC Name>
methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC(=O)C1=C(N=CC=C1)N2CCC(C(C2)O)NC3CCCCC3

>  <Isomeric SMILES>
COC(=O)C1=C(N=CC=C1)N2CC[C@H]([C@@H](C2)O)NC3CCCCC3

>  <InChI Std. ID>
InChI=1S/C18H27N3O3/c1-24-18(23)14-8-5-10-19-17(14)21-11-9-15(16(22)12-21)20-13-6-3-2-4-7-13/h5,8,10,13,15-16,20,22H,2-4,6-7,9,11-12H2,1H3/t15-,16-/m1/s1

>  <InChI Key>
AJNIGLAHOWKSPB-HZPDHXFCSA-N

