65650 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 8 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 2 2 2 3 3 3 4 4 4 5 5 5 6 6 7 7 8 8 8 9 9 10 10 11 11 12 12 13 13 14 15 15 16 16 17 17 18 3 8 6 7 28 4 5 19 6 20 21 7 22 23 24 25 26 27 9 29 30 10 12 11 31 13 15 14 32 14 16 33 17 34 18 35 18 36 37 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 2 2 1 1 2 1 1 1 1 1 2 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 5.135 2.5369 4.269 3.403 4.269 2.5369 3.403 6.001 6.8671 7.7331 8.5991 6.8671 8.5991 7.7331 9.4931 9.4931 10.3991 10.3991 4.269 3.8015 3.0044 4.481 4.8796 2.3249 1.9264 3.0044 3.8015 2 5.6025 6.3996 7.7331 6.3301 7.7331 9.4859 9.4859 10.9349 10.9349 0.2327 -1.2673 -0.2673 0.2327 -1.2673 -0.2673 -1.7673 -0.2673 0.2327 -0.2673 0.2327 1.2327 1.2327 1.7327 -0.302 1.7673 0.2119 1.2535 0.3527 0.7076 0.7076 -1.8499 -1.1597 0.3153 -0.375 -2.2423 -2.2423 -1.5773 -0.7423 -0.7423 -0.8873 1.5427 2.3527 -0.922 2.3873 -0.1002 1.5656 8 8 8 8 8 8 8 8 8 8 8 9 9 10 11 11 12 13 13 15 16 17 10 12 11 13 15 14 14 16 17 18 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 250 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A20000000000000000000000000000000000000003C6080000000000000C15000001E00100000000C14E198063000C2C0040080022042000002000020000008888008088808262280B11886300026D00188A80790C0F00EC0000200001000008000040000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(2-naphthylmethoxy)piperidine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(2-naphthalenylmethoxy)piperidine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(naphthalen-2-ylmethoxy)piperidine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(naphthalen-2-ylmethoxy)piperidine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(naphthalen-2-ylmethoxy)piperidine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(2-naphthylmethoxy)piperidine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H19NO/c1-2-4-15-11-13(5-6-14(15)3-1)12-18-16-7-9-17-10-8-16/h1-6,11,16-17H,7-10,12H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MJJDYOLPMGIWND-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 241.146664230 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H19NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 241.33 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CNCCC1OCC2=CC3=CC=CC=C3C=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CNCCC1OCC2=CC3=CC=CC=C3C=C2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 21.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 241.146664230 18 0 0 0 0 0 0 0 1 -1