3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine

C₁₅H₁₉F₃N₂O — CID 162686588

About 3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine

3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine (PubChem CID 162686588) has the molecular formula C₁₅H₁₉F₃N₂O and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine.

Molecular Properties

• Compound Name: 3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine
• PubChem CID: 162686588
• Molecular Formula: C₁₅H₁₉F₃N₂O
• Molecular Weight: 300.32 g/mol
• Exact Mass: 300.14
• IUPAC Name: 3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine
• SMILES: FC(F)(F)Oc1ccc(N2CC(C3CCCNC3)C2)cc1
• InChI: InChI=1S/C15H19F3N2O/c16-15(17,18)21-14-5-3-13(4-6-14)20-9-12(10-20)11-2-1-7-19-8-11/h3-6,11-12,19H,1-2,7-10H2
• InChIKey: IVBCRKLZSSPRMX-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 24.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	300.32
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine?

The IUPAC name of 3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine (CID 162686588) is 3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine.

What is the SMILES notation for 3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine?

The canonical SMILES for 3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine is FC(F)(F)Oc1ccc(N2CC(C3CCCNC3)C2)cc1.

What is the InChIKey of 3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine?

The InChIKey is IVBCRKLZSSPRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)21-14-5-3-13(4-6-14)20-9-12(10-20)11-2-1-7-19-8-11/h3-6,11-12,19H,1-2,7-10H2.

What are the key properties of 3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine?

3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine has a molecular weight of 300.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine is sourced from PubChem (CID 162686588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162686588 — identifiers, structure, computed properties (public domain)

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