benzyl 4-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]anilino]piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone;[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridinyl]-morpholin-4-ylmethanone;1-[4-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrimidin-2-yl]piperazin-1-yl]ethanone;1,1,1,3,3,3-hexafluoro-2-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(4-piperidin-4-yloxyphenyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxyphenyl]phenyl]propan-2-ol

C243H231F66N27O21 — CID 159867515

IUPACbenzyl 4-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]anilino]piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone;[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridinyl]-morpholin-4-ylmethanone;1-[4-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrimidin-2-yl]piperazin-1-yl]ethanone;1,1,1,3,3,3-hexafluoro-2-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(4-piperidin-4-yloxyphenyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxyphenyl]phenyl]propan-2-ol
SMILESCC(=O)N1CCN(c2ncc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cn2)CC1.CN1CCN(c2cc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)ccn2)CC1.CN1CCN(c2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cn2)CC1.O=C(Cc1ccc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1)N1CCN(Cc2ccncc2)CC1.O=C(OCc1ccccc1)N1CCC(Nc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CC1.O=C(c1cncc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c1)N1CCOCC1.OC(c1ccc(-c2ccc(N3CCOCC3)nc2)cc1)(C(F)(F)F)C(F)(F)F.OC(c1ccc(-c2ccc(NC3CCN(Cc4ccncc4)CC3)cc2)cc1)(C(F)(F)F)C(F)(F)F.OC(c1ccc(-c2ccc(OC3CCN(Cc4ccncc4)CC3)cc2)cc1)(C(F)(F)F)C(F)(F)F.OC(c1ccc(-c2ccc(OC3CCNCC3)cc2)cc1)(C(F)(F)F)C(F)(F)F.OCCN1CCN(Cc2cccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)c2)CC1
InChIInChI=1S/C28H26F6N2O3.C27H25F6N3O2.C26H25F6N3O.C26H24F6N2O2.C22H24F6N2O2.C20H19F6NO2.C19H18F6N4O2.2C19H19F6N3O.C19H16F6N2O3.C18H16F6N2O2/c29-27(30,31)26(38,28(32,33)34)22-10-6-20(7-11-22)21-8-12-23(13-9-21)35-24-14-16-36(17-15-24)25(37)39-18-19-4-2-1-3-5-19;28-26(29,30)25(38,27(31,32)33)23-7-5-22(6-8-23)21-3-1-19(2-4-21)17-24(37)36-15-13-35(14-16-36)18-20-9-11-34-12-10-20;27-25(28,29)24(36,26(30,31)32)21-5-1-19(2-6-21)20-3-7-22(8-4-20)34-23-11-15-35(16-12-23)17-18-9-13-33-14-10-18;27-25(28,29)24(35,26(30,31)32)21-5-1-19(2-6-21)20-3-7-22(8-4-20)36-23-11-15-34(16-12-23)17-18-9-13-33-14-10-18;23-21(24,25)20(32,22(26,27)28)19-6-4-17(5-7-19)18-3-1-2-16(14-18)15-30-10-8-29(9-11-30)12-13-31;21-19(22,23)18(28,20(24,25)26)15-5-1-13(2-6-15)14-3-7-16(8-4-14)29-17-9-11-27-12-10-17;1-12(30)28-6-8-29(9-7-28)16-26-10-14(11-27-16)13-2-4-15(5-3-13)17(31,18(20,21)22)19(23,24)25;1-27-8-10-28(11-9-27)16-7-4-14(12-26-16)13-2-5-15(6-3-13)17(29,18(20,21)22)19(23,24)25;1-27-8-10-28(11-9-27)16-12-14(6-7-26-16)13-2-4-15(5-3-13)17(29,18(20,21)22)19(23,24)25;20-18(21,22)17(29,19(23,24)25)15-3-1-12(2-4-15)13-9-14(11-26-10-13)16(28)27-5-7-30-8-6-27;19-17(20,21)16(27,18(22,23)24)14-4-1-12(2-5-14)13-3-6-15(25-11-13)26-7-9-28-10-8-26/h1-13,24,35,38H,14-18H2;1-12,38H,13-18H2;1-10,13-14,23,34,36H,11-12,15-17H2;1-10,13-14,23,35H,11-12,15-17H2;1-7,14,31-32H,8-13,15H2;1-8,17,27-28H,9-12H2;2-5,10-11,31H,6-9H2,1H3;2*2-7,12,29H,8-11H2,1H3;1-4,9-11,29H,5-8H2;1-6,11,27H,7-10H2
InChIKeyNRXOWGJTZQAMOI-UHFFFAOYSA-N
MW5119.56 g/mol
LogP50.82
Rot. Bonds49

About benzyl 4-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]anilino]piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone;[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridinyl]-morpholin-4-ylmethanone;1-[4-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrimidin-2-yl]piperazin-1-yl]ethanone;1,1,1,3,3,3-hexafluoro-2-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(4-piperidin-4-yloxyphenyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxyphenyl]phenyl]propan-2-ol

benzyl 4-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]anilino]piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone;[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridinyl]-morpholin-4-ylmethanone;1-[4-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrimidin-2-yl]piperazin-1-yl]ethanone;1,1,1,3,3,3-hexafluoro-2-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(4-piperidin-4-yloxyphenyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxyphenyl]phenyl]propan-2-ol (PubChem CID 159867515) has the molecular formula C243H231F66N27O21 and a molecular weight of 5119.56 g/mol. Its IUPAC name is benzyl 4-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]anilino]piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone;[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridinyl]-morpholin-4-ylmethanone;1-[4-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrimidin-2-yl]piperazin-1-yl]ethanone;1,1,1,3,3,3-hexafluoro-2-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(4-piperidin-4-yloxyphenyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxyphenyl]phenyl]propan-2-ol.

Molecular Properties

Compound Namebenzyl 4-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]anilino]piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone;[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridinyl]-morpholin-4-ylmethanone;1-[4-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrimidin-2-yl]piperazin-1-yl]ethanone;1,1,1,3,3,3-hexafluoro-2-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(4-piperidin-4-yloxyphenyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxyphenyl]phenyl]propan-2-ol
PubChem CID159867515
Molecular FormulaC243H231F66N27O21
Molecular Weight5119.56 g/mol
Exact Mass5116.68
IUPAC Namebenzyl 4-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]anilino]piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone;[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridinyl]-morpholin-4-ylmethanone;1-[4-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrimidin-2-yl]piperazin-1-yl]ethanone;1,1,1,3,3,3-hexafluoro-2-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(4-piperidin-4-yloxyphenyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxyphenyl]phenyl]propan-2-ol
SMILESCC(=O)N1CCN(c2ncc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cn2)CC1.CN1CCN(c2cc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)ccn2)CC1.CN1CCN(c2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cn2)CC1.O=C(Cc1ccc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1)N1CCN(Cc2ccncc2)CC1.O=C(OCc1ccccc1)N1CCC(Nc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CC1.O=C(c1cncc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c1)N1CCOCC1.OC(c1ccc(-c2ccc(N3CCOCC3)nc2)cc1)(C(F)(F)F)C(F)(F)F.OC(c1ccc(-c2ccc(NC3CCN(Cc4ccncc4)CC3)cc2)cc1)(C(F)(F)F)C(F)(F)F.OC(c1ccc(-c2ccc(OC3CCN(Cc4ccncc4)CC3)cc2)cc1)(C(F)(F)F)C(F)(F)F.OC(c1ccc(-c2ccc(OC3CCNCC3)cc2)cc1)(C(F)(F)F)C(F)(F)F.OCCN1CCN(Cc2cccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)c2)CC1
InChIInChI=1S/C28H26F6N2O3.C27H25F6N3O2.C26H25F6N3O.C26H24F6N2O2.C22H24F6N2O2.C20H19F6NO2.C19H18F6N4O2.2C19H19F6N3O.C19H16F6N2O3.C18H16F6N2O2/c29-27(30,31)26(38,28(32,33)34)22-10-6-20(7-11-22)21-8-12-23(13-9-21)35-24-14-16-36(17-15-24)25(37)39-18-19-4-2-1-3-5-19;28-26(29,30)25(38,27(31,32)33)23-7-5-22(6-8-23)21-3-1-19(2-4-21)17-24(37)36-15-13-35(14-16-36)18-20-9-11-34-12-10-20;27-25(28,29)24(36,26(30,31)32)21-5-1-19(2-6-21)20-3-7-22(8-4-20)34-23-11-15-35(16-12-23)17-18-9-13-33-14-10-18;27-25(28,29)24(35,26(30,31)32)21-5-1-19(2-6-21)20-3-7-22(8-4-20)36-23-11-15-34(16-12-23)17-18-9-13-33-14-10-18;23-21(24,25)20(32,22(26,27)28)19-6-4-17(5-7-19)18-3-1-2-16(14-18)15-30-10-8-29(9-11-30)12-13-31;21-19(22,23)18(28,20(24,25)26)15-5-1-13(2-6-15)14-3-7-16(8-4-14)29-17-9-11-27-12-10-17;1-12(30)28-6-8-29(9-7-28)16-26-10-14(11-27-16)13-2-4-15(5-3-13)17(31,18(20,21)22)19(23,24)25;1-27-8-10-28(11-9-27)16-7-4-14(12-26-16)13-2-5-15(6-3-13)17(29,18(20,21)22)19(23,24)25;1-27-8-10-28(11-9-27)16-12-14(6-7-26-16)13-2-4-15(5-3-13)17(29,18(20,21)22)19(23,24)25;20-18(21,22)17(29,19(23,24)25)15-3-1-12(2-4-15)13-9-14(11-26-10-13)16(28)27-5-7-30-8-6-27;19-17(20,21)16(27,18(22,23)24)14-4-1-12(2-5-14)13-3-6-15(25-11-13)26-7-9-28-10-8-26/h1-13,24,35,38H,14-18H2;1-12,38H,13-18H2;1-10,13-14,23,34,36H,11-12,15-17H2;1-10,13-14,23,35H,11-12,15-17H2;1-7,14,31-32H,8-13,15H2;1-8,17,27-28H,9-12H2;2-5,10-11,31H,6-9H2,1H3;2*2-7,12,29H,8-11H2,1H3;1-4,9-11,29H,5-8H2;1-6,11,27H,7-10H2
InChIKeyNRXOWGJTZQAMOI-UHFFFAOYSA-N
XLogP50.82
TPSA557.89 Ų
H-Bond Donors15
H-Bond Acceptors44
Rotatable Bonds49
Heavy Atoms357
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005119.56
LogP ≤ 550.82
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1044

Analyze benzyl 4-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]anilino]piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone;[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridinyl]-morpholin-4-ylmethanone;1-[4-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrimidin-2-yl]piperazin-1-yl]ethanone;1,1,1,3,3,3-hexafluoro-2-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(4-piperidin-4-yloxyphenyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxyphenyl]phenyl]propan-2-ol with MolForge

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What is the IUPAC name of benzyl 4-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]anilino]piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone;[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridinyl]-morpholin-4-ylmethanone;1-[4-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrimidin-2-yl]piperazin-1-yl]ethanone;1,1,1,3,3,3-hexafluoro-2-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(4-piperidin-4-yloxyphenyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxyphenyl]phenyl]propan-2-ol?
The IUPAC name of benzyl 4-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]anilino]piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone;[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridinyl]-morpholin-4-ylmethanone;1-[4-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrimidin-2-yl]piperazin-1-yl]ethanone;1,1,1,3,3,3-hexafluoro-2-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(4-piperidin-4-yloxyphenyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxyphenyl]phenyl]propan-2-ol (CID 159867515) is benzyl 4-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]anilino]piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone;[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridinyl]-morpholin-4-ylmethanone;1-[4-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrimidin-2-yl]piperazin-1-yl]ethanone;1,1,1,3,3,3-hexafluoro-2-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(4-piperidin-4-yloxyphenyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxyphenyl]phenyl]propan-2-ol.
What is the SMILES notation for benzyl 4-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]anilino]piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone;[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridinyl]-morpholin-4-ylmethanone;1-[4-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrimidin-2-yl]piperazin-1-yl]ethanone;1,1,1,3,3,3-hexafluoro-2-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(4-piperidin-4-yloxyphenyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxyphenyl]phenyl]propan-2-ol?
The canonical SMILES for benzyl 4-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]anilino]piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone;[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridinyl]-morpholin-4-ylmethanone;1-[4-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrimidin-2-yl]piperazin-1-yl]ethanone;1,1,1,3,3,3-hexafluoro-2-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(4-piperidin-4-yloxyphenyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxyphenyl]phenyl]propan-2-ol is CC(=O)N1CCN(c2ncc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cn2)CC1.CN1CCN(c2cc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)ccn2)CC1.CN1CCN(c2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cn2)CC1.O=C(Cc1ccc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1)N1CCN(Cc2ccncc2)CC1.O=C(OCc1ccccc1)N1CCC(Nc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CC1.O=C(c1cncc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c1)N1CCOCC1.OC(c1ccc(-c2ccc(N3CCOCC3)nc2)cc1)(C(F)(F)F)C(F)(F)F.OC(c1ccc(-c2ccc(NC3CCN(Cc4ccncc4)CC3)cc2)cc1)(C(F)(F)F)C(F)(F)F.OC(c1ccc(-c2ccc(OC3CCN(Cc4ccncc4)CC3)cc2)cc1)(C(F)(F)F)C(F)(F)F.OC(c1ccc(-c2ccc(OC3CCNCC3)cc2)cc1)(C(F)(F)F)C(F)(F)F.OCCN1CCN(Cc2cccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)c2)CC1.
What is the InChIKey of benzyl 4-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]anilino]piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone;[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridinyl]-morpholin-4-ylmethanone;1-[4-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrimidin-2-yl]piperazin-1-yl]ethanone;1,1,1,3,3,3-hexafluoro-2-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(4-piperidin-4-yloxyphenyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxyphenyl]phenyl]propan-2-ol?
The InChIKey is NRXOWGJTZQAMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F6N2O3.C27H25F6N3O2.C26H25F6N3O.C26H24F6N2O2.C22H24F6N2O2.C20H19F6NO2.C19H18F6N4O2.2C19H19F6N3O.C19H16F6N2O3.C18H16F6N2O2/c29-27(30,31)26(38,28(32,33)34)22-10-6-20(7-11-22)21-8-12-23(13-9-21)35-24-14-16-36(17-15-24)25(37)39-18-19-4-2-1-3-5-19;28-26(29,30)25(38,27(31,32)33)23-7-5-22(6-8-23)21-3-1-19(2-4-21)17-24(37)36-15-13-35(14-16-36)18-20-9-11-34-12-10-20;27-25(28,29)24(36,26(30,31)32)21-5-1-19(2-6-21)20-3-7-22(8-4-20)34-23-11-15-35(16-12-23)17-18-9-13-33-14-10-18;27-25(28,29)24(35,26(30,31)32)21-5-1-19(2-6-21)20-3-7-22(8-4-20)36-23-11-15-34(16-12-23)17-18-9-13-33-14-10-18;23-21(24,25)20(32,22(26,27)28)19-6-4-17(5-7-19)18-3-1-2-16(14-18)15-30-10-8-29(9-11-30)12-13-31;21-19(22,23)18(28,20(24,25)26)15-5-1-13(2-6-15)14-3-7-16(8-4-14)29-17-9-11-27-12-10-17;1-12(30)28-6-8-29(9-7-28)16-26-10-14(11-27-16)13-2-4-15(5-3-13)17(31,18(20,21)22)19(23,24)25;1-27-8-10-28(11-9-27)16-7-4-14(12-26-16)13-2-5-15(6-3-13)17(29,18(20,21)22)19(23,24)25;1-27-8-10-28(11-9-27)16-12-14(6-7-26-16)13-2-4-15(5-3-13)17(29,18(20,21)22)19(23,24)25;20-18(21,22)17(29,19(23,24)25)15-3-1-12(2-4-15)13-9-14(11-26-10-13)16(28)27-5-7-30-8-6-27;19-17(20,21)16(27,18(22,23)24)14-4-1-12(2-5-14)13-3-6-15(25-11-13)26-7-9-28-10-8-26/h1-13,24,35,38H,14-18H2;1-12,38H,13-18H2;1-10,13-14,23,34,36H,11-12,15-17H2;1-10,13-14,23,35H,11-12,15-17H2;1-7,14,31-32H,8-13,15H2;1-8,17,27-28H,9-12H2;2-5,10-11,31H,6-9H2,1H3;2*2-7,12,29H,8-11H2,1H3;1-4,9-11,29H,5-8H2;1-6,11,27H,7-10H2.
What are the key properties of benzyl 4-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]anilino]piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone;[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridinyl]-morpholin-4-ylmethanone;1-[4-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrimidin-2-yl]piperazin-1-yl]ethanone;1,1,1,3,3,3-hexafluoro-2-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(4-piperidin-4-yloxyphenyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxyphenyl]phenyl]propan-2-ol?
benzyl 4-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]anilino]piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone;[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridinyl]-morpholin-4-ylmethanone;1-[4-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrimidin-2-yl]piperazin-1-yl]ethanone;1,1,1,3,3,3-hexafluoro-2-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(4-piperidin-4-yloxyphenyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxyphenyl]phenyl]propan-2-ol has a molecular weight of 5119.56 g/mol, XLogP of 50.82, 49 rotatable bonds, 15 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]anilino]piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoro-2-[4-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone;[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridinyl]-morpholin-4-ylmethanone;1-[4-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrimidin-2-yl]piperazin-1-yl]ethanone;1,1,1,3,3,3-hexafluoro-2-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-(4-piperidin-4-yloxyphenyl)phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxyphenyl]phenyl]propan-2-ol is sourced from PubChem (CID 159867515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).