tetrakis(3,6-diethyl-3,6-diazabicyclo[3.1.1]heptane);tetrakis(3,8-diethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-diethyl-2-methylpiperazine);tetrakis(1,4-diethylpiperazine)

C126H264N28 — CID 161452020

About tetrakis(3,6-diethyl-3,6-diazabicyclo[3.1.1]heptane);tetrakis(3,8-diethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-diethyl-2-methylpiperazine);tetrakis(1,4-diethylpiperazine)

tetrakis(3,6-diethyl-3,6-diazabicyclo[3.1.1]heptane);tetrakis(3,8-diethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-diethyl-2-methylpiperazine);tetrakis(1,4-diethylpiperazine) (PubChem CID 161452020) has the molecular formula C126H264N28 and a molecular weight of 2171.69 g/mol. Its IUPAC name is tetrakis(3,6-diethyl-3,6-diazabicyclo[3.1.1]heptane);tetrakis(3,8-diethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-diethyl-2-methylpiperazine);tetrakis(1,4-diethylpiperazine).

Molecular Properties

• Compound Name: tetrakis(3,6-diethyl-3,6-diazabicyclo[3.1.1]heptane);tetrakis(3,8-diethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-diethyl-2-methylpiperazine);tetrakis(1,4-diethylpiperazine)
• PubChem CID: 161452020
• Molecular Formula: C126H264N28
• Molecular Weight: 2171.69 g/mol
• Exact Mass: 2170.15
• IUPAC Name: tetrakis(3,6-diethyl-3,6-diazabicyclo[3.1.1]heptane);tetrakis(3,8-diethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-diethyl-2-methylpiperazine);tetrakis(1,4-diethylpiperazine)
• SMILES: CCN1CC2CC(C1)N2CC.CCN1CC2CC(C1)N2CC.CCN1CC2CC(C1)N2CC.CCN1CC2CC(C1)N2CC.CCN1CC2CCC(C1)N2CC.CCN1CC2CCC(C1)N2CC.CCN1CC2CCC(C1)N2CC.CCN1CC2CCC(C1)N2CC.CCN1CCN(CC)C(C)C1.CCN1CCN(CC)C(C)C1.CCN1CCN(CC)CC1.CCN1CCN(CC)CC1.CCN1CCN(CC)CC1.CCN1CCN(CC)CC1
• InChI: InChI=1S/4C10H20N2.4C9H18N2.2C9H20N2.4C8H18N2/c4*1-3-11-7-9-5-6-10(8-11)12(9)4-2;4*1-3-10-6-8-5-9(7-10)11(8)4-2;2*1-4-10-6-7-11(5-2)9(3)8-10;4*1-3-9-5-7-10(4-2)8-6-9/h4*9-10H,3-8H2,1-2H3;4*8-9H,3-7H2,1-2H3;2*9H,4-8H2,1-3H3;4*3-8H2,1-2H3
• InChIKey: WAQPKKNUPXMIFP-UHFFFAOYSA-N
• XLogP: 12.48
• TPSA: 90.72 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 28
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2171.69
LogP ≤ 5	12.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of tetrakis(3,6-diethyl-3,6-diazabicyclo[3.1.1]heptane);tetrakis(3,8-diethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-diethyl-2-methylpiperazine);tetrakis(1,4-diethylpiperazine)?

The IUPAC name of tetrakis(3,6-diethyl-3,6-diazabicyclo[3.1.1]heptane);tetrakis(3,8-diethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-diethyl-2-methylpiperazine);tetrakis(1,4-diethylpiperazine) (CID 161452020) is tetrakis(3,6-diethyl-3,6-diazabicyclo[3.1.1]heptane);tetrakis(3,8-diethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-diethyl-2-methylpiperazine);tetrakis(1,4-diethylpiperazine).

What is the SMILES notation for tetrakis(3,6-diethyl-3,6-diazabicyclo[3.1.1]heptane);tetrakis(3,8-diethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-diethyl-2-methylpiperazine);tetrakis(1,4-diethylpiperazine)?

The canonical SMILES for tetrakis(3,6-diethyl-3,6-diazabicyclo[3.1.1]heptane);tetrakis(3,8-diethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-diethyl-2-methylpiperazine);tetrakis(1,4-diethylpiperazine) is CCN1CC2CC(C1)N2CC.CCN1CC2CC(C1)N2CC.CCN1CC2CC(C1)N2CC.CCN1CC2CC(C1)N2CC.CCN1CC2CCC(C1)N2CC.CCN1CC2CCC(C1)N2CC.CCN1CC2CCC(C1)N2CC.CCN1CC2CCC(C1)N2CC.CCN1CCN(CC)C(C)C1.CCN1CCN(CC)C(C)C1.CCN1CCN(CC)CC1.CCN1CCN(CC)CC1.CCN1CCN(CC)CC1.CCN1CCN(CC)CC1.

What is the InChIKey of tetrakis(3,6-diethyl-3,6-diazabicyclo[3.1.1]heptane);tetrakis(3,8-diethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-diethyl-2-methylpiperazine);tetrakis(1,4-diethylpiperazine)?

The InChIKey is WAQPKKNUPXMIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H20N2.4C9H18N2.2C9H20N2.4C8H18N2/c4*1-3-11-7-9-5-6-10(8-11)12(9)4-2;4*1-3-10-6-8-5-9(7-10)11(8)4-2;2*1-4-10-6-7-11(5-2)9(3)8-10;4*1-3-9-5-7-10(4-2)8-6-9/h4*9-10H,3-8H2,1-2H3;4*8-9H,3-7H2,1-2H3;2*9H,4-8H2,1-3H3;4*3-8H2,1-2H3.

What are the key properties of tetrakis(3,6-diethyl-3,6-diazabicyclo[3.1.1]heptane);tetrakis(3,8-diethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-diethyl-2-methylpiperazine);tetrakis(1,4-diethylpiperazine)?

tetrakis(3,6-diethyl-3,6-diazabicyclo[3.1.1]heptane);tetrakis(3,8-diethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-diethyl-2-methylpiperazine);tetrakis(1,4-diethylpiperazine) has a molecular weight of 2171.69 g/mol, XLogP of 12.48, 28 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(3,6-diethyl-3,6-diazabicyclo[3.1.1]heptane);tetrakis(3,8-diethyl-3,8-diazabicyclo[3.2.1]octane);bis(1,4-diethyl-2-methylpiperazine);tetrakis(1,4-diethylpiperazine) is sourced from PubChem (CID 161452020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).