4158 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 8 8 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 1 1 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 12 12 13 13 14 14 15 15 16 17 17 17 11 17 11 4 9 26 5 6 18 7 19 20 10 11 21 8 22 23 9 24 25 27 28 12 13 14 29 15 30 16 31 16 32 33 34 35 36 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 4 3 5 6 18 3 1 6 4 10 11 21 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 3.732 5.4641 6.3301 5.4641 5.4641 4.5981 6.3301 7.1962 7.1962 3.732 4.5981 3.732 2.866 2.866 2 2 3.732 5.4641 5.252 4.8535 5.3342 6.7287 5.9316 7.8067 7.4082 6.3301 7.4082 7.8067 4.269 2.866 2.866 1.4631 1.4631 3.112 3.732 4.352 -1.25 -1.25 0.25 0.75 1.75 0.25 2.25 1.75 0.75 0.75 -0.75 1.75 0.25 2.25 0.75 1.75 -2.25 -0.1 2.3326 1.6423 -0.175 2.725 2.725 1.6423 2.3326 -0.37 0.1674 0.8577 2.06 -0.37 2.87 0.44 2.06 -2.25 -2.87 -2.25 3 3 8 8 8 8 8 8 4 6 10 10 12 13 14 15 18 21 12 13 14 15 16 16 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 249 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371E07230000000000000000000000000000000000000003C4000000000000000010000001E00100000000D28C19806320882C00400880220D2080002000020000008888108008808203A80951184200026D00188880798C8E08E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 methyl 2-phenyl-2-(2-piperidyl)acetate IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-phenyl-2-(2-piperidinyl)acetic acid methyl ester IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 methyl 2-phenyl-2-piperidin-2-ylacetate IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 methyl 2-phenyl-2-piperidin-2-yl-ethanoate IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-phenyl-2-(2-piperidyl)acetic acid methyl ester InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 DUGOZIWVEXMGBE-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 0.2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 233.141579 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C14H19NO2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 233.30616 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 COC(=O)C(C1CCCCN1)C2=CC=CC=C2 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 COC(=O)C(C1CCCCN1)C2=CC=CC=C2 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 38.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 233.141579 17 2 0 2 0 0 0 0 1 1