1342 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 7 7 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 2 2 2 3 3 3 4 4 4 5 5 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 14 14 15 15 16 3 4 7 5 6 25 5 17 18 6 19 20 21 22 23 24 8 9 10 11 12 26 13 14 15 27 13 29 28 16 30 16 31 32 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 2 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 2.866 2.866 2 3.732 2 3.732 2.866 3.732 2 3.732 4.626 2 2.866 4.626 5.5321 5.5321 1.788 1.3894 4.3426 3.9441 1.3894 1.788 3.9441 4.3426 2.866 1.4631 4.6188 2.866 1.4631 4.6188 6.0678 6.0678 -0.2073 -2.2073 -0.7073 -0.7073 -1.7073 -1.7073 0.7927 1.2927 1.2927 2.2927 0.758 2.2927 2.7927 2.8273 1.2718 2.3135 -0.1247 -0.815 -0.815 -0.1247 -1.5997 -2.2899 -2.2899 -1.5997 -2.8273 0.9827 0.138 3.4127 2.6027 3.4473 0.9598 2.6256 8 8 8 8 8 8 8 8 8 8 8 7 7 8 8 9 10 10 11 12 14 15 8 9 10 11 12 13 14 15 13 16 16 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 223 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07300000000000000000000000000000000000000003C6080000000000000C15000001C00100000000C08C1180430C0C3C00000800224424000820000210200088880086488086022C09191942008609000C8C8071080800E80000040001200000000008000240000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(1-naphthyl)piperazine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(1-naphthalenyl)piperazine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-naphthalen-1-ylpiperazine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-naphthalen-1-ylpiperazine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-naphthalen-1-ylpiperazine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(1-naphthyl)piperazine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H16N2/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16/h1-7,15H,8-11H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VNICFCQJUVFULD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 212.131348519 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H16N2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 212.29 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CN(CCN1)C2=CC=CC3=CC=CC=C32 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CN(CCN1)C2=CC=CC3=CC=CC=C32 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 15.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 212.131348519 16 0 0 0 0 0 0 0 1 -1