51326485 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 8 7 7 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 2 2 2 3 3 4 4 4 4 5 5 5 6 6 6 7 7 8 8 9 9 10 10 10 11 11 12 12 13 13 14 15 15 16 16 17 17 18 18 20 20 21 22 22 23 23 24 19 46 7 8 10 14 23 5 6 9 25 7 26 27 8 28 29 30 31 32 33 12 13 11 34 35 14 15 16 36 17 37 18 20 38 19 39 19 40 21 22 21 41 42 24 43 24 44 45 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 2 1 2 1 1 2 1 1 1 1 1 2 1 1 2 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 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 2 7.1962 9.8222 5.4641 6.3301 5.4641 7.1962 6.3301 4.5981 8.0622 8.0622 4.5981 3.732 8.9282 7.1962 3.732 2.866 8.9282 2.866 7.1962 8.0622 9.8222 10.7282 10.7282 5.4641 5.9316 6.7287 5.252 4.8535 7.4082 7.8067 6.7287 5.9316 8.2742 8.6728 5.135 3.732 6.6592 3.732 2.3291 6.6592 8.0622 9.815 11.2639 11.2639 2 -2.9573 0.0427 1.508 -0.9573 -1.4573 0.0427 -0.9573 0.5427 -1.4573 0.5427 1.5427 -2.4573 -0.9573 2.0427 2.0427 -2.9573 -1.4573 3.0427 -2.4573 3.0427 3.5427 3.5773 2.0218 3.0635 -1.5773 -1.9323 -1.9323 0.6253 -0.065 -1.5399 -0.8497 1.0176 1.0176 -0.0399 0.6503 -2.7673 -0.3373 1.7327 -3.5773 -1.1473 3.3527 4.1627 4.1973 1.7098 3.3756 -3.5773 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 9 9 11 11 12 13 14 15 16 17 18 18 20 22 23 14 23 12 13 14 15 16 17 18 20 19 19 21 22 21 24 24 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 385 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B20000000000000000000000000000000000000003C7881000000000000B1F400001E00000800000D0CC19E043CC6F3081200A0033467440082802031222008D8203E6C980826E2C2D19384700864C011C8D80790C0F00EA0000200000200004000040000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[1-(8-quinolylmethyl)-4-piperidyl]phenol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[1-(8-quinolinylmethyl)-4-piperidinyl]phenol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[1-(quinolin-8-ylmethyl)piperidin-4-yl]phenol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[1-(quinolin-8-ylmethyl)piperidin-4-yl]phenol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[1-(quinolin-8-ylmethyl)piperidin-4-yl]phenol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[1-(8-quinolylmethyl)-4-piperidyl]phenol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C21H22N2O/c24-20-8-6-16(7-9-20)17-10-13-23(14-11-17)15-19-4-1-3-18-5-2-12-22-21(18)19/h1-9,12,17,24H,10-11,13-15H2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LICJTOYUCDXVSY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 318.173213330 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C21H22N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 318.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CN(CCC1C2=CC=C(C=C2)O)CC3=CC=CC4=C3N=CC=C4 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1CN(CCC1C2=CC=C(C=C2)O)CC3=CC=CC4=C3N=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 36.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 318.173213330 24 0 0 0 0 0 0 0 1 -1