2-hydroxyethyl acetate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[5-(2-acetyloxyethoxy)pyrimidin-2-yl]-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-hydroxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-phenylmethoxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate

C108H134F18N12O20 — CID 160857427

About 2-hydroxyethyl acetate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[5-(2-acetyloxyethoxy)pyrimidin-2-yl]-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-hydroxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-phenylmethoxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate

2-hydroxyethyl acetate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[5-(2-acetyloxyethoxy)pyrimidin-2-yl]-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-hydroxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-phenylmethoxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate (PubChem CID 160857427) has the molecular formula C108H134F18N12O20 and a molecular weight of 2262.29 g/mol. Its IUPAC name is 2-hydroxyethyl acetate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[5-(2-acetyloxyethoxy)pyrimidin-2-yl]-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-hydroxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-phenylmethoxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate.

Molecular Properties

• Compound Name: 2-hydroxyethyl acetate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[5-(2-acetyloxyethoxy)pyrimidin-2-yl]-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-hydroxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-phenylmethoxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate
• PubChem CID: 160857427
• Molecular Formula: C108H134F18N12O20
• Molecular Weight: 2262.29 g/mol
• Exact Mass: 2260.95
• IUPAC Name: 2-hydroxyethyl acetate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[5-(2-acetyloxyethoxy)pyrimidin-2-yl]-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-hydroxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-phenylmethoxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate
• SMILES: CC(=O)OCCO.CC[C@@H]1CC(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(O)cn2)C[C@H](CC)N1C(=O)OC1CCC(C(=O)OC)CC1.CC[C@@H]1CC(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(OCCOC(C)=O)cn2)C[C@H](CC)N1C(=O)OC1CCC(C(=O)OC)CC1.CC[C@@H]1CC(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(OCc3ccccc3)cn2)C[C@H](CC)N1C(=O)OC1CCC(C(=O)OC)CC1
• InChI: InChI=1S/C38H44F6N4O5.C35H44F6N4O7.C31H38F6N4O5.C4H8O3/c1-4-29-18-31(19-30(5-2)48(29)36(50)53-32-13-11-26(12-14-32)34(49)51-3)47(22-25-15-27(37(39,40)41)17-28(16-25)38(42,43)44)35-45-20-33(21-46-35)52-23-24-9-7-6-8-10-24;1-5-26-16-28(17-27(6-2)45(26)33(48)52-29-9-7-23(8-10-29)31(47)49-4)44(32-42-18-30(19-43-32)51-12-11-50-21(3)46)20-22-13-24(34(36,37)38)15-25(14-22)35(39,40)41;1-4-22-13-24(14-23(5-2)41(22)29(44)46-26-8-6-19(7-9-26)27(43)45-3)40(28-38-15-25(42)16-39-28)17-18-10-20(30(32,33)34)12-21(11-18)31(35,36)37;1-4(6)7-3-2-5/h6-10,15-17,20-21,26,29-32H,4-5,11-14,18-19,22-23H2,1-3H3;13-15,18-19,23,26-29H,5-12,16-17,20H2,1-4H3;10-12,15-16,19,22-24,26,42H,4-9,13-14,17H2,1-3H3;5H,2-3H2,1H3/t26?,29-,30+,31?,32?;23?,26-,27+,28?,29?;19?,22-,23+,24?,26?
• InChIKey: SKARDENQIFKXAJ-KCGLIOHESA-N
• XLogP: 23.00
• TPSA: 366.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 33
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2262.29
LogP ≤ 5	23.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl acetate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[5-(2-acetyloxyethoxy)pyrimidin-2-yl]-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-hydroxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-phenylmethoxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate?

The IUPAC name of 2-hydroxyethyl acetate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[5-(2-acetyloxyethoxy)pyrimidin-2-yl]-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-hydroxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-phenylmethoxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate (CID 160857427) is 2-hydroxyethyl acetate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[5-(2-acetyloxyethoxy)pyrimidin-2-yl]-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-hydroxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-phenylmethoxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate.

What is the SMILES notation for 2-hydroxyethyl acetate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[5-(2-acetyloxyethoxy)pyrimidin-2-yl]-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-hydroxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-phenylmethoxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate?

The canonical SMILES for 2-hydroxyethyl acetate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[5-(2-acetyloxyethoxy)pyrimidin-2-yl]-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-hydroxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-phenylmethoxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate is CC(=O)OCCO.CC[C@@H]1CC(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(O)cn2)C[C@H](CC)N1C(=O)OC1CCC(C(=O)OC)CC1.CC[C@@H]1CC(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(OCCOC(C)=O)cn2)C[C@H](CC)N1C(=O)OC1CCC(C(=O)OC)CC1.CC[C@@H]1CC(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(OCc3ccccc3)cn2)C[C@H](CC)N1C(=O)OC1CCC(C(=O)OC)CC1.

What is the InChIKey of 2-hydroxyethyl acetate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[5-(2-acetyloxyethoxy)pyrimidin-2-yl]-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-hydroxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-phenylmethoxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate?

The InChIKey is SKARDENQIFKXAJ-KCGLIOHESA-N. The full InChI is InChI=1S/C38H44F6N4O5.C35H44F6N4O7.C31H38F6N4O5.C4H8O3/c1-4-29-18-31(19-30(5-2)48(29)36(50)53-32-13-11-26(12-14-32)34(49)51-3)47(22-25-15-27(37(39,40)41)17-28(16-25)38(42,43)44)35-45-20-33(21-46-35)52-23-24-9-7-6-8-10-24;1-5-26-16-28(17-27(6-2)45(26)33(48)52-29-9-7-23(8-10-29)31(47)49-4)44(32-42-18-30(19-43-32)51-12-11-50-21(3)46)20-22-13-24(34(36,37)38)15-25(14-22)35(39,40)41;1-4-22-13-24(14-23(5-2)41(22)29(44)46-26-8-6-19(7-9-26)27(43)45-3)40(28-38-15-25(42)16-39-28)17-18-10-20(30(32,33)34)12-21(11-18)31(35,36)37;1-4(6)7-3-2-5/h6-10,15-17,20-21,26,29-32H,4-5,11-14,18-19,22-23H2,1-3H3;13-15,18-19,23,26-29H,5-12,16-17,20H2,1-4H3;10-12,15-16,19,22-24,26,42H,4-9,13-14,17H2,1-3H3;5H,2-3H2,1H3/t26?,29-,30+,31?,32?;23?,26-,27+,28?,29?;19?,22-,23+,24?,26?;.

What are the key properties of 2-hydroxyethyl acetate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[5-(2-acetyloxyethoxy)pyrimidin-2-yl]-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-hydroxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-phenylmethoxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate?

2-hydroxyethyl acetate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[5-(2-acetyloxyethoxy)pyrimidin-2-yl]-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-hydroxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-phenylmethoxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate has a molecular weight of 2262.29 g/mol, XLogP of 23.00, 33 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxyethyl acetate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[5-(2-acetyloxyethoxy)pyrimidin-2-yl]-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-hydroxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate;(4-methoxycarbonylcyclohexyl) (2S,6R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-phenylmethoxypyrimidin-2-yl)amino]-2,6-diethylpiperidine-1-carboxylate is sourced from PubChem (CID 160857427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).