bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[2-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]piperazine-1-carboxylate

C50H64F12N8O10 — CID 160513971

About bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[2-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]piperazine-1-carboxylate

bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[2-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]piperazine-1-carboxylate (PubChem CID 160513971) has the molecular formula C50H64F12N8O10 and a molecular weight of 1165.08 g/mol. Its IUPAC name is bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[2-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[2-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]piperazine-1-carboxylate
• PubChem CID: 160513971
• Molecular Formula: C50H64F12N8O10
• Molecular Weight: 1165.08 g/mol
• Exact Mass: 1164.46
• IUPAC Name: bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[2-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]piperazine-1-carboxylate
• SMILES: Cc1ccc(CN2CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC2)c(C(=O)N2CCN(C)CC2)c1.Cc1ccc(CN2CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC2)c(C(=O)N2CCN(CC(C)(C)C)CC2)c1.O=C=O.O=C=O
• InChI: InChI=1S/C26H36F6N4O3.C22H28F6N4O3.2CO2/c1-18-5-6-19(20(15-18)21(37)35-11-9-34(10-12-35)17-24(2,3)4)16-33-7-13-36(14-8-33)23(38)39-22(25(27,28)29)26(30,31)32;1-15-3-4-16(17(13-15)18(33)31-9-5-29(2)6-10-31)14-30-7-11-32(12-8-30)20(34)35-19(21(23,24)25)22(26,27)28;2*2-1-3/h5-6,15,22H,7-14,16-17H2,1-4H3;3-4,13,19H,5-12,14H2,1-2H3
• InChIKey: QTKDCTRHMVOIFC-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 180.94 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1165.08
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[2-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]piperazine-1-carboxylate?

The IUPAC name of bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[2-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]piperazine-1-carboxylate (CID 160513971) is bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[2-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]piperazine-1-carboxylate.

What is the SMILES notation for bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[2-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]piperazine-1-carboxylate?

The canonical SMILES for bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[2-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]piperazine-1-carboxylate is Cc1ccc(CN2CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC2)c(C(=O)N2CCN(C)CC2)c1.Cc1ccc(CN2CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC2)c(C(=O)N2CCN(CC(C)(C)C)CC2)c1.O=C=O.O=C=O.

What is the InChIKey of bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[2-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]piperazine-1-carboxylate?

The InChIKey is QTKDCTRHMVOIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36F6N4O3.C22H28F6N4O3.2CO2/c1-18-5-6-19(20(15-18)21(37)35-11-9-34(10-12-35)17-24(2,3)4)16-33-7-13-36(14-8-33)23(38)39-22(25(27,28)29)26(30,31)32;1-15-3-4-16(17(13-15)18(33)31-9-5-29(2)6-10-31)14-30-7-11-32(12-8-30)20(34)35-19(21(23,24)25)22(26,27)28;2*2-1-3/h5-6,15,22H,7-14,16-17H2,1-4H3;3-4,13,19H,5-12,14H2,1-2H3;;.

What are the key properties of bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[2-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]piperazine-1-carboxylate?

bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[2-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]piperazine-1-carboxylate has a molecular weight of 1165.08 g/mol, XLogP of 6.51, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[2-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-4-methylphenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 160513971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).