Bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate

C₂₃H₄₂N₂O₄ — CID 155075566

About Bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate

Bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate (PubChem CID 155075566) has the molecular formula C₂₃H₄₂N₂O₄ and a molecular weight of 410.60 g/mol. Its IUPAC name is bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate.

Molecular Properties

• Compound Name: Bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate
• PubChem CID: 155075566
• Molecular Formula: C₂₃H₄₂N₂O₄
• Molecular Weight: 410.60 g/mol
• Exact Mass: 410.31
• IUPAC Name: bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate
• SMILES: CC(C)(CCC(=O)OC(C)(C)C1CCNCC1)C(=O)OC(C)(C)C1CCNCC1
• InChI: InChI=1S/C23H42N2O4/c1-21(2,20(27)29-23(5,6)18-10-15-25-16-11-18)12-7-19(26)28-22(3,4)17-8-13-24-14-9-17/h17-18,24-25H,7-16H2,1-6H3
• InChIKey: UQKMTSWEFSYLLT-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.60
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate?

The IUPAC name of Bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate (CID 155075566) is bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate.

What is the SMILES notation for Bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate?

The canonical SMILES for Bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate is CC(C)(CCC(=O)OC(C)(C)C1CCNCC1)C(=O)OC(C)(C)C1CCNCC1.

What is the InChIKey of Bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate?

The InChIKey is UQKMTSWEFSYLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O4/c1-21(2,20(27)29-23(5,6)18-10-15-25-16-11-18)12-7-19(26)28-22(3,4)17-8-13-24-14-9-17/h17-18,24-25H,7-16H2,1-6H3.

What are the key properties of Bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate?

Bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate has a molecular weight of 410.60 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate is sourced from PubChem (CID 155075566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155075566 — identifiers, structure, computed properties (public domain)

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