68130562 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 8 8 7 7 6 6 6 6 6 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 2 2 3 3 3 4 4 4 5 5 5 5 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 12 12 12 13 13 14 14 15 15 16 16 17 18 19 19 20 20 21 21 22 23 23 24 26 26 26 27 27 27 24 26 25 27 8 9 10 17 18 46 6 7 11 28 8 29 30 9 31 32 33 34 35 36 12 37 38 14 15 13 39 40 16 17 19 41 20 42 18 21 43 23 22 44 22 45 24 47 48 25 49 25 50 51 52 53 54 55 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 1 1 1 1 1 2 1 1 2 1 1 2 1 2 2 1 1 1 1 1 1 1 1 2 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 2 2 7.1441 5.5443 7.7654 8.4333 6.787 8.1226 6.4763 6.8335 8.0761 5.855 5.5443 9.0546 7.4083 4.5981 6.1279 4.5981 9.3653 7.7189 3.732 8.6974 3.732 2.866 2.866 2 2 7.3514 8.9802 8.8158 6.7664 6.1731 8.1432 8.7364 5.9294 6.0937 6.854 7.4473 5.8344 5.2411 9.4687 6.8016 6.7479 9.972 7.3049 5.7369 3.732 8.89 3.732 2.62 2 1.38 1.38 2 2.62 -1.8323 -3.8323 0.0797 -3.637 1.9807 1.2364 1.7745 0.2859 0.824 -0.8708 2.9313 -1.077 -2.0276 3.1375 3.6756 -2.3323 -2.8323 -3.3323 4.088 4.6261 -1.8323 4.8323 -3.8323 -2.3323 -3.3323 -0.8323 -4.8323 2.4422 0.9444 1.7243 2.3942 1.8619 -0.3337 0.1986 1.116 0.3361 -1.4905 -0.9582 -0.4574 -0.9897 2.676 3.5477 -2.8323 4.2158 5.0875 -4.2264 -1.2123 5.4216 -4.4523 -0.8323 -0.2123 -0.8323 -4.8323 -5.4523 -4.8323 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 11 11 13 13 14 15 16 16 18 19 20 21 23 24 17 18 14 15 16 17 19 20 18 21 23 22 22 24 25 25 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 446 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000000000001600000003C608000000000005801F400001E00100000000D0CC19E063EC6F3C99400A0033467440082882031222008D9A03EEC980D26E2C4B19B84302A66D019CAE807B0D0F30EA0400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5,6-dimethoxy-3-[2-(4-phenyl-1-piperidyl)ethyl]-1H-indole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5,6-dimethoxy-3-[2-(4-phenyl-1-piperidinyl)ethyl]-1H-indole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5,6-dimethoxy-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1<I>H</I>-indole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5,6-dimethoxy-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5,6-dimethoxy-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5,6-dimethoxy-3-[2-(4-phenylpiperidino)ethyl]-1H-indole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H28N2O2/c1-26-22-14-20-19(16-24-21(20)15-23(22)27-2)10-13-25-11-8-18(9-12-25)17-6-4-3-5-7-17/h3-7,14-16,18,24H,8-13H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 PACJPLHIFVVKDG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 364.215078140 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H28N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 364.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=C(C=C2C(=C1)C(=CN2)CCN3CCC(CC3)C4=CC=CC=C4)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=C(C=C2C(=C1)C(=CN2)CCN3CCC(CC3)C4=CC=CC=C4)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 37.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 364.215078140 27 0 0 0 0 0 0 0 1 -1