tert-butyl 4-methylpiperazine-1-carboxylate;bis(2,2-dimethyl-1-[2-phenyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one);1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1-methylpiperazine

C65H100F6N10O7Si2 — CID 157223939

About tert-butyl 4-methylpiperazine-1-carboxylate;bis(2,2-dimethyl-1-[2-phenyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one);1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1-methylpiperazine

tert-butyl 4-methylpiperazine-1-carboxylate;bis(2,2-dimethyl-1-[2-phenyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one);1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1-methylpiperazine (PubChem CID 157223939) has the molecular formula C65H100F6N10O7Si2 and a molecular weight of 1303.74 g/mol. Its IUPAC name is tert-butyl 4-methylpiperazine-1-carboxylate;bis(2,2-dimethyl-1-[2-phenyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one);1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1-methylpiperazine.

Molecular Properties

• Compound Name: tert-butyl 4-methylpiperazine-1-carboxylate;bis(2,2-dimethyl-1-[2-phenyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one);1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1-methylpiperazine
• PubChem CID: 157223939
• Molecular Formula: C65H100F6N10O7Si2
• Molecular Weight: 1303.74 g/mol
• Exact Mass: 1302.72
• IUPAC Name: tert-butyl 4-methylpiperazine-1-carboxylate;bis(2,2-dimethyl-1-[2-phenyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one);1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1-methylpiperazine
• SMILES: C.CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3ccccc3)nc12.CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3ccccc3)nc12.CN1CCN(C(=O)OC(C)(C)C)CC1.CN1CCNCC1.OC(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/2C23H31N3O2Si.C10H20N2O2.C5H12N2.C3H2F6O.CH4/c2*1-23(2,3)21(27)18-15-26(16-28-12-13-29(4,5)6)22-20(18)25-19(14-24-22)17-10-8-7-9-11-17;1-10(2,3)14-9(13)12-7-5-11(4)6-8-12;1-7-4-2-6-3-5-7;4-2(5,6)1(10)3(7,8)9;/h2*7-11,14-15H,12-13,16H2,1-6H3;5-8H2,1-4H3;6H,2-5H2,1H3;1,10H;1H4
• InChIKey: ATHXQQFLRRWMFX-UHFFFAOYSA-N
• XLogP: 14.08
• TPSA: 182.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1303.74
LogP ≤ 5	14.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methylpiperazine-1-carboxylate;bis(2,2-dimethyl-1-[2-phenyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one);1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1-methylpiperazine?

The IUPAC name of tert-butyl 4-methylpiperazine-1-carboxylate;bis(2,2-dimethyl-1-[2-phenyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one);1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1-methylpiperazine (CID 157223939) is tert-butyl 4-methylpiperazine-1-carboxylate;bis(2,2-dimethyl-1-[2-phenyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one);1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1-methylpiperazine.

What is the SMILES notation for tert-butyl 4-methylpiperazine-1-carboxylate;bis(2,2-dimethyl-1-[2-phenyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one);1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1-methylpiperazine?

The canonical SMILES for tert-butyl 4-methylpiperazine-1-carboxylate;bis(2,2-dimethyl-1-[2-phenyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one);1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1-methylpiperazine is C.CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3ccccc3)nc12.CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3ccccc3)nc12.CN1CCN(C(=O)OC(C)(C)C)CC1.CN1CCNCC1.OC(C(F)(F)F)C(F)(F)F.

What is the InChIKey of tert-butyl 4-methylpiperazine-1-carboxylate;bis(2,2-dimethyl-1-[2-phenyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one);1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1-methylpiperazine?

The InChIKey is ATHXQQFLRRWMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H31N3O2Si.C10H20N2O2.C5H12N2.C3H2F6O.CH4/c2*1-23(2,3)21(27)18-15-26(16-28-12-13-29(4,5)6)22-20(18)25-19(14-24-22)17-10-8-7-9-11-17;1-10(2,3)14-9(13)12-7-5-11(4)6-8-12;1-7-4-2-6-3-5-7;4-2(5,6)1(10)3(7,8)9;/h2*7-11,14-15H,12-13,16H2,1-6H3;5-8H2,1-4H3;6H,2-5H2,1H3;1,10H;1H4.

What are the key properties of tert-butyl 4-methylpiperazine-1-carboxylate;bis(2,2-dimethyl-1-[2-phenyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one);1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1-methylpiperazine?

tert-butyl 4-methylpiperazine-1-carboxylate;bis(2,2-dimethyl-1-[2-phenyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one);1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1-methylpiperazine has a molecular weight of 1303.74 g/mol, XLogP of 14.08, 14 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-methylpiperazine-1-carboxylate;bis(2,2-dimethyl-1-[2-phenyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one);1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1-methylpiperazine is sourced from PubChem (CID 157223939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).