54603068 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 19 19 19 20 20 21 21 21 22 60 22 18 20 58 17 19 59 6 7 23 24 8 25 26 9 27 28 10 29 30 11 31 32 12 33 34 13 35 36 14 37 38 15 39 40 16 41 42 21 43 44 22 45 46 18 47 48 51 52 20 49 50 53 54 55 56 57 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 0.5369 1.403 6.5991 6.5991 7.4651 6.5991 8.3312 5.7331 9.1972 4.8671 10.0632 4.001 10.9292 3.135 11.7953 2.269 5.7331 5.7331 7.4651 7.4651 12.6613 1.403 7.8637 7.0666 6.2006 6.9976 7.9326 8.7297 6.1316 5.3346 9.5957 8.7987 4.4685 5.2656 9.6647 10.4617 4.3996 3.6025 11.3278 10.5307 2.7365 3.5335 11.3967 12.1938 2.6675 1.8705 5.521 5.1225 8.0757 7.6772 5.521 5.1225 8.0757 7.6772 12.9713 13.1982 12.3513 6.5991 6.5991 0 1.5 0 6.6569 4.6569 1.5 1 1 1.5 1.5 1 1 1.5 1.5 1 1 1.5 5.1569 6.1569 5.1569 6.1569 1.5 1 1.975 1.975 0.5251 0.5251 0.5251 0.5251 1.975 1.975 1.975 1.975 0.5251 0.5251 0.5251 0.5251 1.975 1.975 1.975 1.975 0.5251 0.5251 0.5251 0.5251 1.975 1.975 4.5743 5.2646 5.2646 4.5743 6.7395 6.0493 6.0493 6.7395 0.9631 1.81 2.0369 7.2769 4.0369 1.19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 181 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 12 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371F07B30000000000000000000000000000000000000002C0000000000000000000000001E00100800000800C18004020802C0020008000090080000000000000000008108000000401200000010400004100080000188C8A08000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 piperazine;tetradecanoic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 piperazine;tetradecanoic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 piperazine;tetradecanoic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 piperazine;tetradecanoic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 piperazine;tetradecanoic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 myristic acid;piperazine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H28O2.C4H10N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2-6-4-3-5-1/h2-13H2,1H3,(H,15,16);5-6H,1-4H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JDHLNEKZJKNDHL-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 314.293328459 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C18H38N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 314.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCCCCCCC(=O)O.C1CNCCN1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCCCCCCC(=O)O.C1CNCCN1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 61.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 314.293328459 22 0 0 0 0 0 0 0 2 -1