N-(1-piperidin-1-ylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C₁₅H₂₈F₃N₃ — CID 43791782

About N-(1-piperidin-1-ylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(1-piperidin-1-ylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 43791782) has the molecular formula C₁₅H₂₈F₃N₃ and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(1-piperidin-1-ylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

• Compound Name: N-(1-piperidin-1-ylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
• PubChem CID: 43791782
• Molecular Formula: C₁₅H₂₈F₃N₃
• Molecular Weight: 307.40 g/mol
• Exact Mass: 307.22
• IUPAC Name: N-(1-piperidin-1-ylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
• SMILES: CC(CN1CCCCC1)NC1CCN(CC(F)(F)F)CC1
• InChI: InChI=1S/C15H28F3N3/c1-13(11-20-7-3-2-4-8-20)19-14-5-9-21(10-6-14)12-15(16,17)18/h13-14,19H,2-12H2,1H3
• InChIKey: SDNQRNJTPZMBIX-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 18.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.40
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-1-ylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?

The IUPAC name of N-(1-piperidin-1-ylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 43791782) is N-(1-piperidin-1-ylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

What is the SMILES notation for N-(1-piperidin-1-ylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?

The canonical SMILES for N-(1-piperidin-1-ylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CC(CN1CCCCC1)NC1CCN(CC(F)(F)F)CC1.

What is the InChIKey of N-(1-piperidin-1-ylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?

The InChIKey is SDNQRNJTPZMBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N3/c1-13(11-20-7-3-2-4-8-20)19-14-5-9-21(10-6-14)12-15(16,17)18/h13-14,19H,2-12H2,1H3.

What are the key properties of N-(1-piperidin-1-ylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?

N-(1-piperidin-1-ylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 307.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-piperidin-1-ylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 43791782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 43791782 — identifiers, structure, computed properties (public domain)

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