1,1,1,3,3,3-hexafluoropropan-2-yl 4-ethyl-4-[ethyl-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxylate

C25H32F9N3O3 — CID 145401379

About 1,1,1,3,3,3-hexafluoropropan-2-yl 4-ethyl-4-[ethyl-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxylate

1,1,1,3,3,3-hexafluoropropan-2-yl 4-ethyl-4-[ethyl-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxylate (PubChem CID 145401379) has the molecular formula C25H32F9N3O3 and a molecular weight of 593.53 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-ethyl-4-[ethyl-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: 1,1,1,3,3,3-hexafluoropropan-2-yl 4-ethyl-4-[ethyl-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxylate
• PubChem CID: 145401379
• Molecular Formula: C25H32F9N3O3
• Molecular Weight: 593.53 g/mol
• Exact Mass: 593.23
• IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-yl 4-ethyl-4-[ethyl-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxylate
• SMILES: CCN(Cc1ccc(C(F)(F)F)cc1N1CCOCC1)C1(CC)CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1
• InChI: InChI=1S/C25H32F9N3O3/c1-3-22(7-9-36(10-8-22)21(38)40-20(24(29,30)31)25(32,33)34)37(4-2)16-17-5-6-18(23(26,27)28)15-19(17)35-11-13-39-14-12-35/h5-6,15,20H,3-4,7-14,16H2,1-2H3
• InChIKey: LQSJTHZVPCVNLO-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 45.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.53
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-ethyl-4-[ethyl-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxylate?

The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-ethyl-4-[ethyl-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxylate (CID 145401379) is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-ethyl-4-[ethyl-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxylate.

What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-ethyl-4-[ethyl-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxylate?

The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-ethyl-4-[ethyl-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxylate is CCN(Cc1ccc(C(F)(F)F)cc1N1CCOCC1)C1(CC)CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1.

What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-ethyl-4-[ethyl-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxylate?

The InChIKey is LQSJTHZVPCVNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F9N3O3/c1-3-22(7-9-36(10-8-22)21(38)40-20(24(29,30)31)25(32,33)34)37(4-2)16-17-5-6-18(23(26,27)28)15-19(17)35-11-13-39-14-12-35/h5-6,15,20H,3-4,7-14,16H2,1-2H3.

What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-ethyl-4-[ethyl-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxylate?

1,1,1,3,3,3-hexafluoropropan-2-yl 4-ethyl-4-[ethyl-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxylate has a molecular weight of 593.53 g/mol, XLogP of 6.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-ethyl-4-[ethyl-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 145401379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).