44143120 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 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 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 2 2 2 3 3 3 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 20 20 21 21 22 22 23 23 24 25 25 26 27 27 28 28 29 3 5 7 4 8 41 4 6 30 31 32 8 33 34 10 35 36 9 37 38 39 40 11 42 43 12 13 14 16 15 18 17 44 20 22 19 21 23 45 19 46 25 47 48 24 27 26 49 28 50 24 51 52 26 53 54 29 55 29 56 57 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 2 1 2 1 1 1 2 1 2 1 1 2 1 1 1 1 1 2 1 1 1 1 2 1 1 2 1 1 1 1 2 1 1 3 1 4 6 30 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 4.269 2.5369 4.269 3.403 3.403 5.135 5.135 2.5369 5.135 5.135 6.001 6.001 4.269 6.001 6.001 6.8671 4.269 6.895 5.135 6.8671 6.895 5.091 7.7331 7.7331 7.801 7.801 6.8831 5.083 5.9851 4.8059 3.8015 3.0044 3.0044 3.8015 5.3471 5.7456 5.7456 5.3471 1.9264 2.3249 2 4.5244 4.923 3.732 6.8671 3.732 6.8878 5.135 6.8878 4.5577 8.27 8.27 8.3368 8.3368 7.4236 4.5449 5.9875 0.2673 1.2673 1.2673 1.7673 -0.2327 1.7673 -0.2327 0.2673 -1.2327 2.7673 -1.7327 3.2673 3.2673 -2.7327 4.2673 -1.2327 4.2673 2.7326 4.7673 -3.2327 4.802 -3.2396 -1.7327 -2.7327 3.2465 4.2881 -4.2742 -4.2812 -4.802 0.9573 2.2422 2.2422 -0.7076 -0.7076 1.1847 1.875 -0.3404 0.3499 0.375 -0.3153 1.5773 -1.125 -1.8153 2.9573 -0.6127 4.5773 2.1127 5.3873 5.4219 -2.9234 -1.4227 -3.0427 2.9344 4.6002 -4.578 -4.5891 -5.422 5 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 10 10 11 11 12 12 13 14 14 15 15 16 17 18 20 20 21 22 23 25 27 28 6 12 13 14 16 15 18 17 20 22 19 21 23 19 25 24 27 26 28 24 26 29 29 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 505 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B00000000000000000000000000000000000000003C60C1820000000000C15400001C00100000000C28C118043000C3C000008002204200000200002000000888800800880860228091119420002090008888071080C00E80000200001000000000040000200000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-1-[2-(1-naphthyl)ethyl]-2-(1-naphthylmethyl)piperazine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-1-[2-(1-naphthalenyl)ethyl]-2-(1-naphthalenylmethyl)piperazine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (2<I>R</I>)-1-(2-naphthalen-1-ylethyl)-2-(naphthalen-1-ylmethyl)piperazine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-1-(2-naphthalen-1-ylethyl)-2-(naphthalen-1-ylmethyl)piperazine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-1-(2-naphthalen-1-ylethyl)-2-(naphthalen-1-ylmethyl)piperazine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-1-[2-(1-naphthyl)ethyl]-2-(1-naphthylmethyl)piperazine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C27H28N2/c1-3-13-26-21(7-1)9-5-11-23(26)15-17-29-18-16-28-20-25(29)19-24-12-6-10-22-8-2-4-14-27(22)24/h1-14,25,28H,15-20H2/t25-/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 MQXYIJLFFYAVPF-RUZDIDTESA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 6.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 380.225248902 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C27H28N2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 380.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CN(C(CN1)CC2=CC=CC3=CC=CC=C32)CCC4=CC=CC5=CC=CC=C54 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1CN([C@@H](CN1)CC2=CC=CC3=CC=CC=C32)CCC4=CC=CC5=CC=CC=C54 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 15.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 380.225248902 29 1 1 0 0 0 0 0 1 -1