11313837 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 7 7 7 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 2 2 2 3 3 4 4 4 4 5 5 5 6 6 6 7 7 8 8 9 9 9 10 11 11 11 12 13 7 8 11 10 13 28 12 13 5 6 9 14 7 15 16 8 17 18 19 20 21 22 10 23 24 12 25 26 27 29 30 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 2.866 3.8366 5.3147 2.866 2 3.732 2 3.732 2.866 3.732 2.866 4.6456 4.8147 3.403 1.788 1.3894 4.3426 3.9441 1.3894 1.788 3.9441 4.3426 2.654 2.2554 2.246 2.866 3.486 3.3758 4.7745 5.0669 -1.9547 2.5398 1.8817 0.0453 -0.4547 -0.4547 -1.4547 -1.4547 1.0453 1.5453 -2.9547 1.1386 2.7477 0.3553 0.1279 -0.5624 -0.5624 0.1279 -1.347 -2.0373 -2.0373 -1.347 1.6279 0.9376 -2.9547 -3.5747 -2.9547 2.9547 0.5321 3.3141 8 8 8 8 8 2 2 3 3 10 10 13 12 13 12 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 152 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 1 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 00000371E07300000000000000000000000000000001600000002C0000000000000000018000001C00100000000D08C116042F9017C99000A0011467640000802DB112A0015180387008806802409900940000089002C040211000000E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(1H-imidazol-5-ylmethyl)-1-methyl-piperidine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(1H-imidazol-5-ylmethyl)-1-methylpiperidine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(1<I>H</I>-imidazol-5-ylmethyl)-1-methylpiperidine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(1H-imidazol-5-ylmethyl)-1-methylpiperidine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(1H-imidazol-5-ylmethyl)-1-methyl-piperidine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(1H-imidazol-5-ylmethyl)-1-methyl-piperidine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H17N3/c1-13-4-2-9(3-5-13)6-10-7-11-8-12-10/h7-9H,2-6H2,1H3,(H,11,12) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KIAVPENCSGKVQP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 179.142247555 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H17N3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 179.26 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN1CCC(CC1)CC2=CN=CN2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN1CCC(CC1)CC2=CN=CN2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 31.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 179.142247555 13 0 0 0 0 0 0 0 1 2