1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine)

C94H201N17O3 — CID 158093856

About 1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine)

1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine) (PubChem CID 158093856) has the molecular formula C94H201N17O3 and a molecular weight of 1617.76 g/mol. Its IUPAC name is 1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine).

Molecular Properties

• Compound Name: 1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine)
• PubChem CID: 158093856
• Molecular Formula: C94H201N17O3
• Molecular Weight: 1617.76 g/mol
• Exact Mass: 1616.61
• IUPAC Name: 1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine)
• SMILES: CC(C)(C)CN1CCN(CNC(C)(C)C)CC1.CC(C)(C)CN1CCN(CNC(C)(C)C)CC1.CC(C)(C)CN1CCN(COC(C)(C)C)CC1.CC(C)(C)CN1CCN(COC(C)(C)C)CC1.CC(C)(C)CN1C[C@@H]2C[C@H]1CN2CNC(C)(C)C.CC(C)(C)CN1C[C@@H]2C[C@H]1CN2COC(C)(C)C.CCN1CCN(CC)CC1
• InChI: InChI=1S/C15H31N3.C15H30N2O.2C14H31N3.2C14H30N2O.C8H18N2/c1-14(2,3)10-17-8-13-7-12(17)9-18(13)11-16-15(4,5)6;1-14(2,3)10-16-8-13-7-12(16)9-17(13)11-18-15(4,5)6;2*1-13(2,3)11-16-7-9-17(10-8-16)12-15-14(4,5)6;2*1-13(2,3)11-15-7-9-16(10-8-15)12-17-14(4,5)6;1-3-9-5-7-10(4-2)8-6-9/h12-13,16H,7-11H2,1-6H3;12-13H,7-11H2,1-6H3;2*15H,7-12H2,1-6H3;2*7-12H2,1-6H3;3-8H2,1-2H3/t2*12-,13-;;;;;/m00...../s1
• InChIKey: FOKXHXARHFLDCU-BSKRLYAXSA-N
• XLogP: 14.18
• TPSA: 109.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1617.76
LogP ≤ 5	14.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine)?

The IUPAC name of 1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine) (CID 158093856) is 1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine).

What is the SMILES notation for 1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine)?

The canonical SMILES for 1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine) is CC(C)(C)CN1CCN(CNC(C)(C)C)CC1.CC(C)(C)CN1CCN(CNC(C)(C)C)CC1.CC(C)(C)CN1CCN(COC(C)(C)C)CC1.CC(C)(C)CN1CCN(COC(C)(C)C)CC1.CC(C)(C)CN1C[C@@H]2C[C@H]1CN2CNC(C)(C)C.CC(C)(C)CN1C[C@@H]2C[C@H]1CN2COC(C)(C)C.CCN1CCN(CC)CC1.

What is the InChIKey of 1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine)?

The InChIKey is FOKXHXARHFLDCU-BSKRLYAXSA-N. The full InChI is InChI=1S/C15H31N3.C15H30N2O.2C14H31N3.2C14H30N2O.C8H18N2/c1-14(2,3)10-17-8-13-7-12(17)9-18(13)11-16-15(4,5)6;1-14(2,3)10-16-8-13-7-12(16)9-17(13)11-18-15(4,5)6;2*1-13(2,3)11-16-7-9-17(10-8-16)12-15-14(4,5)6;2*1-13(2,3)11-15-7-9-16(10-8-15)12-17-14(4,5)6;1-3-9-5-7-10(4-2)8-6-9/h12-13,16H,7-11H2,1-6H3;12-13H,7-11H2,1-6H3;2*15H,7-12H2,1-6H3;2*7-12H2,1-6H3;3-8H2,1-2H3/t2*12-,13-;;;;;/m00...../s1.

What are the key properties of 1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine)?

1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine) has a molecular weight of 1617.76 g/mol, XLogP of 14.18, 20 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine) is sourced from PubChem (CID 158093856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).