1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol

C₁₃H₂₃F₃N₂O — CID 157039324

About 1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol

1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol (PubChem CID 157039324) has the molecular formula C₁₃H₂₃F₃N₂O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol.

Molecular Properties

• Compound Name: 1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol
• PubChem CID: 157039324
• Molecular Formula: C₁₃H₂₃F₃N₂O
• Molecular Weight: 280.33 g/mol
• Exact Mass: 280.18
• IUPAC Name: 1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol
• SMILES: OC1CCN(CC2CCN(CC(F)(F)F)CC2)CC1
• InChI: InChI=1S/C13H23F3N2O/c14-13(15,16)10-18-5-1-11(2-6-18)9-17-7-3-12(19)4-8-17/h11-12,19H,1-10H2
• InChIKey: LKPZVWVYMNOIOX-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 26.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	280.33
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol?

The IUPAC name of 1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol (CID 157039324) is 1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol.

What is the SMILES notation for 1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol?

The canonical SMILES for 1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol is OC1CCN(CC2CCN(CC(F)(F)F)CC2)CC1.

What is the InChIKey of 1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol?

The InChIKey is LKPZVWVYMNOIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c14-13(15,16)10-18-5-1-11(2-6-18)9-17-7-3-12(19)4-8-17/h11-12,19H,1-10H2.

What are the key properties of 1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol?

1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol has a molecular weight of 280.33 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 157039324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157039324 — identifiers, structure, computed properties (public domain)

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