About tert-butyl 4-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-4-oxobutanoate;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-2-morpholin-4-ylethanone;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-2-pyridin-4-ylethanone;1-[[4-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]phenyl]methyl]-4-(pyridin-4-ylmethyl)piperazine
tert-butyl 4-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-4-oxobutanoate;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-2-morpholin-4-ylethanone;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-2-pyridin-4-ylethanone;1-[[4-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]phenyl]methyl]-4-(pyridin-4-ylmethyl)piperazine (PubChem CID 161275343) has the molecular formula C168H174F30N18O15
and a molecular weight of 3255.29 g/mol. Its IUPAC name is tert-butyl 4-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-4-oxobutanoate;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-2-morpholin-4-ylethanone;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-2-pyridin-4-ylethanone;1-[[4-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]phenyl]methyl]-4-(pyridin-4-ylmethyl)piperazine.
Frequently Asked Questions
What is the IUPAC name of tert-butyl 4-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-4-oxobutanoate;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-2-morpholin-4-ylethanone;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-2-pyridin-4-ylethanone;1-[[4-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]phenyl]methyl]-4-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of tert-butyl 4-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-4-oxobutanoate;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-2-morpholin-4-ylethanone;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-2-pyridin-4-ylethanone;1-[[4-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]phenyl]methyl]-4-(pyridin-4-ylmethyl)piperazine (CID 161275343) is tert-butyl 4-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-4-oxobutanoate;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-2-morpholin-4-ylethanone;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-2-pyridin-4-ylethanone;1-[[4-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]phenyl]methyl]-4-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for tert-butyl 4-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-4-oxobutanoate;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-2-morpholin-4-ylethanone;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-2-pyridin-4-ylethanone;1-[[4-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]phenyl]methyl]-4-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for tert-butyl 4-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-4-oxobutanoate;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-2-morpholin-4-ylethanone;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-2-pyridin-4-ylethanone;1-[[4-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]phenyl]methyl]-4-(pyridin-4-ylmethyl)piperazine is CC(C)(C)OC(=O)CCC(=O)N1CCN(Cc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CC1.COc1ccccc1C(=O)N1CCN(Cc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CC1.O=C(CCN1CCOCC1)N1CCN(Cc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CC1.O=C(CN1CCOCC1)N1CCN(Cc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CC1.O=C(Cc1ccncc1)N1CCN(Cc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CC1.c1cc(CN2CCN(Cc3ccc(-c4ccc(-c5ccc(-c6ccn[nH]6)cc5)cc4)cc3)CC2)ccn1.
What is the InChIKey of tert-butyl 4-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-4-oxobutanoate;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-2-morpholin-4-ylethanone;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-2-pyridin-4-ylethanone;1-[[4-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]phenyl]methyl]-4-(pyridin-4-ylmethyl)piperazine?
The InChIKey is VEJHJTXVSDNOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N5.C28H32F6N2O4.C28H26F6N2O3.C27H31F6N3O3.C27H25F6N3O2.C26H29F6N3O3/c1-3-27(4-2-25(1)23-36-19-21-37(22-20-36)24-26-13-16-33-17-14-26)28-5-7-29(8-6-28)30-9-11-31(12-10-30)32-15-18-34-35-32;1-25(2,3)40-24(38)13-12-23(37)36-16-14-35(15-17-36)18-19-4-6-20(7-5-19)21-8-10-22(11-9-21)26(39,27(29,30)31)28(32,33)34;1-39-24-5-3-2-4-23(24)25(37)36-16-14-35(15-17-36)18-19-6-8-20(9-7-19)21-10-12-22(13-11-21)26(38,27(29,30)31)28(32,33)34;28-26(29,30)25(38,27(31,32)33)23-7-5-22(6-8-23)21-3-1-20(2-4-21)19-35-11-13-36(14-12-35)24(37)9-10-34-15-17-39-18-16-34;28-26(29,30)25(38,27(31,32)33)23-7-5-22(6-8-23)21-3-1-20(2-4-21)18-35-13-15-36(16-14-35)24(37)17-19-9-11-34-12-10-19;27-25(28,29)24(37,26(30,31)32)22-7-5-21(6-8-22)20-3-1-19(2-4-20)17-33-9-11-35(12-10-33)23(36)18-34-13-15-38-16-14-34/h1-18H,19-24H2,(H,34,35);4-11,39H,12-18H2,1-3H3;2-13,38H,14-18H2,1H3;1-8,38H,9-19H2;1-12,38H,13-18H2;1-8,37H,9-18H2.
What are the key properties of tert-butyl 4-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-4-oxobutanoate;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-2-morpholin-4-ylethanone;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-2-pyridin-4-ylethanone;1-[[4-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]phenyl]methyl]-4-(pyridin-4-ylmethyl)piperazine?
tert-butyl 4-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-4-oxobutanoate;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-2-morpholin-4-ylethanone;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-2-pyridin-4-ylethanone;1-[[4-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]phenyl]methyl]-4-(pyridin-4-ylmethyl)piperazine has a molecular weight of 3255.29 g/mol, XLogP of 29.81, 39 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-4-oxobutanoate;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-2-morpholin-4-ylethanone;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-2-pyridin-4-ylethanone;1-[[4-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]phenyl]methyl]-4-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 161275343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).