1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-(methylamino)piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate

C27H40F12N4O6 — CID 162239297

About 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-(methylamino)piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate

1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-(methylamino)piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate (PubChem CID 162239297) has the molecular formula C27H40F12N4O6 and a molecular weight of 744.61 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-(methylamino)piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-(methylamino)piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
• PubChem CID: 162239297
• Molecular Formula: C27H40F12N4O6
• Molecular Weight: 744.61 g/mol
• Exact Mass: 744.28
• IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-(methylamino)piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
• SMILES: CN(C(=O)OC(C)(C)C)C1(C)CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1.CNC1(C)CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1
• InChI: InChI=1S/C16H24F6N2O4.C11H16F6N2O2/c1-13(2,3)28-11(25)23(5)14(4)6-8-24(9-7-14)12(26)27-10(15(17,18)19)16(20,21)22;1-9(18-2)3-5-19(6-4-9)8(20)21-7(10(12,13)14)11(15,16)17/h10H,6-9H2,1-5H3;7,18H,3-6H2,1-2H3
• InChIKey: ZWMGYTGZIJINRJ-UHFFFAOYSA-N
• XLogP: 7.03
• TPSA: 100.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	744.61
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-(methylamino)piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate?

The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-(methylamino)piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate (CID 162239297) is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-(methylamino)piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate.

What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-(methylamino)piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate?

The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-(methylamino)piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate is CN(C(=O)OC(C)(C)C)C1(C)CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1.CNC1(C)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-methyl-4-(methylamino)piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate?

The InChIKey is ZWMGYTGZIJINRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F6N2O4.C11H16F6N2O2/c1-13(2,3)28-11(25)23(5)14(4)6-8-24(9-7-14)12(26)27-10(15(17,18)19)16(20,21)22;1-9(18-2)3-5-19(6-4-9)8(20)21-7(10(12,13)14)11(15,16)17/h10H,6-9H2,1-5H3;7,18H,3-6H2,1-2H3.

What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-(methylamino)piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate?

1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-(methylamino)piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate has a molecular weight of 744.61 g/mol, XLogP of 7.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-(methylamino)piperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 162239297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).