About ethyl 1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;ethyl 4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;N-propan-2-yl-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;N-propan-2-yl-2-[4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetamide;1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid
ethyl 1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;ethyl 4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;N-propan-2-yl-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;N-propan-2-yl-2-[4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetamide;1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid (PubChem CID 158933790) has the molecular formula C210H241F21N24O11
and a molecular weight of 3676.35 g/mol. Its IUPAC name is ethyl 1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;ethyl 4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;N-propan-2-yl-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;N-propan-2-yl-2-[4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetamide;1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid.
Frequently Asked Questions
What is the IUPAC name of ethyl 1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;ethyl 4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;N-propan-2-yl-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;N-propan-2-yl-2-[4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetamide;1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid?
The IUPAC name of ethyl 1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;ethyl 4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;N-propan-2-yl-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;N-propan-2-yl-2-[4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetamide;1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid (CID 158933790) is ethyl 1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;ethyl 4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;N-propan-2-yl-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;N-propan-2-yl-2-[4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetamide;1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid.
What is the SMILES notation for ethyl 1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;ethyl 4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;N-propan-2-yl-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;N-propan-2-yl-2-[4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetamide;1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid?
The canonical SMILES for ethyl 1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;ethyl 4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;N-propan-2-yl-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;N-propan-2-yl-2-[4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetamide;1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid is CC(C)(c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)C(C(=O)O)C3)cc2)cc1)C(F)(F)F.CC(C)(c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)CC3C(=O)O)cc2)cc1)C(F)(F)F.CC(C)NC(=O)C1CN(Cc2ccc(-c3ccc(C(C)(C)C(F)(F)F)cc3)cc2)CCN1Cc1ccncc1.CC(C)NC(=O)C1CN(Cc2ccncc2)CCN1Cc1ccc(-c2ccc(C(C)(C)C(F)(F)F)cc2)cc1.CC(C)NC(=O)CC1CN(Cc2ccncc2)CCN1Cc1ccc(-c2ccc(C(C)(C)C(F)(F)F)cc2)cc1.CCOC(=O)C1CN(Cc2ccc(-c3ccc(C(C)(C)C(F)(F)F)cc3)cc2)CCN1Cc1ccncc1.CCOC(=O)C1CN(Cc2ccncc2)CCN1Cc1ccc(-c2ccc(C(C)(C)C(F)(F)F)cc2)cc1.
What is the InChIKey of ethyl 1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;ethyl 4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;N-propan-2-yl-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;N-propan-2-yl-2-[4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetamide;1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid?
The InChIKey is JJJXNFWCEALVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39F3N4O.2C31H37F3N4O.2C30H34F3N3O2.2C28H30F3N3O2/c1-23(2)37-30(40)19-29-22-38(20-25-13-15-36-16-14-25)17-18-39(29)21-24-5-7-26(8-6-24)27-9-11-28(12-10-27)31(3,4)32(33,34)35;1-22(2)36-29(39)28-21-37(19-24-13-15-35-16-14-24)17-18-38(28)20-23-5-7-25(8-6-23)26-9-11-27(12-10-26)30(3,4)31(32,33)34;1-22(2)36-29(39)28-21-37(17-18-38(28)20-24-13-15-35-16-14-24)19-23-5-7-25(8-6-23)26-9-11-27(12-10-26)30(3,4)31(32,33)34;1-4-38-28(37)27-21-35(19-23-13-15-34-16-14-23)17-18-36(27)20-22-5-7-24(8-6-22)25-9-11-26(12-10-25)29(2,3)30(31,32)33;1-4-38-28(37)27-21-35(17-18-36(27)20-23-13-15-34-16-14-23)19-22-5-7-24(8-6-22)25-9-11-26(12-10-25)29(2,3)30(31,32)33;1-27(2,28(29,30)31)24-9-7-23(8-10-24)22-5-3-20(4-6-22)18-34-16-15-33(19-25(34)26(35)36)17-21-11-13-32-14-12-21;1-27(2,28(29,30)31)24-9-7-23(8-10-24)22-5-3-20(4-6-22)17-33-15-16-34(25(19-33)26(35)36)18-21-11-13-32-14-12-21/h5-16,23,29H,17-22H2,1-4H3,(H,37,40);2*5-16,22,28H,17-21H2,1-4H3,(H,36,39);2*5-16,27H,4,17-21H2,1-3H3;2*3-14,25H,15-19H2,1-2H3,(H,35,36).
What are the key properties of ethyl 1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;ethyl 4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;N-propan-2-yl-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;N-propan-2-yl-2-[4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetamide;1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid?
ethyl 1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;ethyl 4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;N-propan-2-yl-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;N-propan-2-yl-2-[4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetamide;1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid has a molecular weight of 3676.35 g/mol, XLogP of 40.18, 55 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;ethyl 4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylate;N-propan-2-yl-1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;N-propan-2-yl-4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxamide;N-propan-2-yl-2-[4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazin-2-yl]acetamide;1-(pyridin-4-ylmethyl)-4-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid;4-(pyridin-4-ylmethyl)-1-[[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 158933790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).