160506 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 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 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 19 2 7 28 3 4 20 5 21 22 8 9 23 6 24 25 7 26 27 29 30 10 12 11 13 14 31 15 32 16 33 17 34 18 35 19 36 18 37 19 38 39 40 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 2 1 2 1 2 1 1 1 1 1 1 1 2 1 3 4 20 3 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 6.3301 5.4641 5.4641 4.5981 6.3301 7.1962 7.1962 3.732 4.5981 3.732 3.732 2.866 5.4641 2.866 3.732 2 5.4641 2 4.5981 5.4641 5.252 4.8535 4.5981 6.7287 5.9316 7.8067 7.4082 6.3301 7.4082 7.8067 4.269 3.1951 2.866 6.001 2.866 3.1951 1.4631 6.001 1.4631 4.5981 0.5 1 2 0.5 2.5 2 1 1 -0.5 2 -1 0.5 -1 2.5 -2 1 -2 2 -2.5 0.38 2.5826 1.8923 1.12 2.975 2.975 1.8923 2.5826 -0.12 0.4174 1.1077 2.31 -0.69 -0.12 -0.69 3.12 -2.31 0.69 -2.31 2.31 -3.12 3 8 8 8 8 8 8 8 8 8 8 8 8 2 8 8 9 9 10 11 12 13 14 15 16 17 4 10 12 11 13 14 15 16 17 18 19 18 19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 232 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A00000000000000000000000000000000000000003C6080000000000000014000001C00100000000D28C11804300082C000008002204200000200002000000888800800880820228091118420002090008888071080C00E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-benzhydrylpiperidine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(diphenylmethyl)piperidine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-benzhydrylpiperidine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-benzhydrylpiperidine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(diphenylmethyl)piperidine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-benzhydrylpiperidine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C18H21N/c1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-6,9-12,17-19H,7-8,13-14H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RWTNXJXZVGHMGI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 251.167399674 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C18H21N Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 251.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCNC(C1)C(C2=CC=CC=C2)C3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCNC(C1)C(C2=CC=CC=C2)C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 12 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 251.167399674 19 1 0 1 0 0 0 0 1 1