70545282 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 61 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 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 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 13 14 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 22 23 24 24 25 25 26 28 28 28 29 29 29 26 28 27 29 8 9 10 21 22 53 6 7 11 30 8 31 32 9 33 34 35 36 37 38 12 39 40 15 16 13 41 42 14 43 44 17 45 46 19 47 20 48 18 21 22 24 23 49 23 50 51 25 52 26 54 27 55 27 56 57 58 59 60 61 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 1 1 1 1 1 1 1 2 1 1 2 1 2 2 1 1 1 1 2 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 56 57 58 59 60 61 2 2 8.4333 5.5443 9.0546 9.7225 8.0761 9.4118 7.7654 8.1226 9.3653 7.1441 6.8335 5.855 10.3438 8.6974 5.5443 4.5981 10.6545 9.0081 6.1279 4.5981 9.9866 3.732 3.732 2.866 2.866 2 2 9.6613 10.2694 10.105 8.0556 7.4623 9.4324 10.0256 7.2185 7.3829 8.1432 8.7364 7.1236 6.5303 6.854 7.4473 5.8344 5.2411 10.7578 8.0908 11.2611 8.594 6.7479 10.1792 5.7369 3.732 3.732 2.62 2 1.38 1.38 2 2.62 -2.4107 -4.4107 0.6581 -4.2154 2.5591 1.8148 2.3529 0.8643 1.4024 -0.2925 3.5096 -0.4987 -1.4492 -1.6554 3.7158 4.2539 -2.6059 -2.9107 4.6664 5.2044 -3.4107 -3.9107 5.4107 -2.4107 -4.4107 -2.9107 -3.9107 -1.4107 -5.4107 2.687 1.5228 2.3027 2.9726 2.4402 0.2446 0.7769 1.6944 0.9145 -0.9121 -0.3798 0.121 -0.4113 -2.0688 -1.5365 -1.0358 -1.5681 3.2544 4.1261 4.7942 5.6659 -3.4107 6 -4.8047 -1.7907 -5.0307 -1.4107 -0.7907 -1.4107 -5.4107 -6.0307 -5.4107 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 11 11 15 16 17 17 18 18 19 20 22 24 25 26 21 22 15 16 19 20 18 21 22 24 23 23 25 26 27 27 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 473 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 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371F07B30000000000000000000000000000001600000003C608000000000005801F400001E00100000000D0CC19E063EC6F3C99400A0033467440082882031222008D9A03EEC980D26E2C4B19B84302A66D019CAE807B0D0F30EA0400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5,6-dimethoxy-3-[4-(4-phenyl-1-piperidyl)butyl]-1H-indole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5,6-dimethoxy-3-[4-(4-phenyl-1-piperidinyl)butyl]-1H-indole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5,6-dimethoxy-3-[4-(4-phenylpiperidin-1-yl)butyl]-1<I>H</I>-indole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5,6-dimethoxy-3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5,6-dimethoxy-3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5,6-dimethoxy-3-[4-(4-phenylpiperidino)butyl]-1H-indole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C25H32N2O2/c1-28-24-16-22-21(18-26-23(22)17-25(24)29-2)10-6-7-13-27-14-11-20(12-15-27)19-8-4-3-5-9-19/h3-5,8-9,16-18,20,26H,6-7,10-15H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 OSBNLIGEPPIVCA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 392.246378268 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C25H32N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 392.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=C(C=C2C(=C1)C(=CN2)CCCCN3CCC(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)CCCCN3CCC(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 2021.05.07 392.246378268 29 0 0 0 0 0 0 0 1 -1