176265 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 16 7 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 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 12 12 12 13 13 13 14 14 14 15 15 16 16 17 17 18 11 18 3 9 10 4 5 11 6 12 19 7 20 21 8 22 23 8 24 25 26 27 13 28 29 14 30 31 16 32 33 34 15 35 36 15 37 38 39 40 17 41 18 42 43 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 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 3 2 4 5 11 1 1 4 3 12 6 19 2 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 5.2153 3.5 4 3.134 4.866 3.134 4.866 4 4 2.5 4.9397 2.268 3.5 2 2.5 5.7687 6.5567 6.2147 3.134 5.4766 5.0781 2.5234 2.9219 5.0781 5.4766 3.6015 4.3985 4.475 4.475 1.9174 2.6077 2.578 1.731 1.958 4.0826 3.3923 1.525 1.525 2.6077 1.9174 5.7904 7.1527 6.5614 1.0042 0.567 -0.299 -0.799 -0.799 -1.799 -1.799 -2.299 1.433 0.567 0.043 -0.299 2.299 1.433 2.299 -0.5162 0.0995 1.0391 -0.179 -0.9067 -0.2164 -1.6914 -2.3816 -2.3816 -1.6914 -2.774 -2.774 1.0345 1.8315 0.3549 -0.0436 0.2379 0.011 -0.836 2.5111 2.9096 1.8315 1.0345 2.9096 2.5111 -1.1358 -0.0714 1.5532 8 8 6 6 8 8 8 1 1 3 4 11 16 17 11 18 2 12 16 17 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 274 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A00004000000000000000000000000001200000003C4000000000000000018000001C04000000000D88C55004B20183000008840020420000830080200810488818080488082022A09111840008608000A888071080C00E80000000000000000000000000240000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[(1R,2S)-2-methyl-1-(2-thienyl)cyclohexyl]piperidine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[(1<I>R</I>,2<I>S</I>)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[(1R,2S)-2-methyl-1-thiophen-2-yl-cyclohexyl]piperidine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[(1R,2S)-2-methyl-1-(2-thienyl)cyclohexyl]piperidine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H25NS/c1-14-8-3-4-10-16(14,15-9-7-13-18-15)17-11-5-2-6-12-17/h7,9,13-14H,2-6,8,10-12H2,1H3/t14-,16+/m0/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DKFAAPPUYWQKKF-GOEBONIOSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 263.17077098 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H25NS Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 263.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1CCCCC1(C2=CC=CS2)N3CCCCC3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C[C@H]1CCCC[C@@]1(C2=CC=CS2)N3CCCCC3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 31.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 263.17077098 18 2 2 0 0 0 0 0 1 -1