3773 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 8 8 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 4 5 5 5 6 6 6 7 7 8 8 9 20 9 7 8 19 5 6 9 10 7 11 12 8 13 14 15 16 17 18 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 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 3.732 2 2.866 2.866 2 3.732 2 3.732 2.866 3.403 1.788 1.3894 4.3426 3.9441 1.3894 1.788 3.9441 4.3426 2.866 3.732 1.75 1.75 -1.75 0.25 -0.25 -0.25 -1.25 -1.25 1.25 0.56 0.3326 -0.3577 -0.3577 0.3326 -1.1423 -1.8326 -1.8326 -1.1423 -2.37 2.37 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 108 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C06230000000000000000000000000000000000000002C0000000000000000000000001E00100800000D00C18004000802C002000800009008000000000000000000810800000000120080000440000410008000003400000A00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 piperidine-4-carboxylic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 4-piperidinecarboxylic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 piperidine-4-carboxylic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 piperidine-4-carboxylic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 isonipecotic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 SRJOCJYGOFTFLH-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 129.078979 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C6H11NO2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 129.15704 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1CNCCC1C(=O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1CNCCC1C(=O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 49.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 129.078979 9 0 0 0 0 0 0 0 1 1