bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine

C45H54F18N6O7 — CID 160663634

About bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine

bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 160663634) has the molecular formula C45H54F18N6O7 and a molecular weight of 1132.93 g/mol. Its IUPAC name is bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

• Compound Name: bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine
• PubChem CID: 160663634
• Molecular Formula: C45H54F18N6O7
• Molecular Weight: 1132.93 g/mol
• Exact Mass: 1132.38
• IUPAC Name: bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine
• SMILES: CC1CCN(c2cc(CN3CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC3)cc(C(F)(F)F)c2)CC1.CC1CCN(c2cc(CN3CCNCC3)cc(C(F)(F)F)c2)CC1.O=C=O.O=C=O.OC(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C22H26F9N3O2.C18H26F3N3.C3H2F6O.2CO2/c1-14-2-4-33(5-3-14)17-11-15(10-16(12-17)20(23,24)25)13-32-6-8-34(9-7-32)19(35)36-18(21(26,27)28)22(29,30)31;1-14-2-6-24(7-3-14)17-11-15(10-16(12-17)18(19,20)21)13-23-8-4-22-5-9-23;4-2(5,6)1(10)3(7,8)9;2*2-1-3/h10-12,14,18H,2-9,13H2,1H3;10-12,14,22H,2-9,13H2,1H3;1,10H
• InChIKey: RLZSRIQJAQDGHB-UHFFFAOYSA-N
• XLogP: 9.34
• TPSA: 143.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1132.93
LogP ≤ 5	9.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine?

The IUPAC name of bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine (CID 160663634) is bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine.

What is the SMILES notation for bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine?

The canonical SMILES for bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine is CC1CCN(c2cc(CN3CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC3)cc(C(F)(F)F)c2)CC1.CC1CCN(c2cc(CN3CCNCC3)cc(C(F)(F)F)c2)CC1.O=C=O.O=C=O.OC(C(F)(F)F)C(F)(F)F.

What is the InChIKey of bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine?

The InChIKey is RLZSRIQJAQDGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F9N3O2.C18H26F3N3.C3H2F6O.2CO2/c1-14-2-4-33(5-3-14)17-11-15(10-16(12-17)20(23,24)25)13-32-6-8-34(9-7-32)19(35)36-18(21(26,27)28)22(29,30)31;1-14-2-6-24(7-3-14)17-11-15(10-16(12-17)18(19,20)21)13-23-8-4-22-5-9-23;4-2(5,6)1(10)3(7,8)9;2*2-1-3/h10-12,14,18H,2-9,13H2,1H3;10-12,14,22H,2-9,13H2,1H3;1,10H;;.

What are the key properties of bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine?

bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 1132.93 g/mol, XLogP of 9.34, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis(carbon dioxide);1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1-[[3-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 160663634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).