3-(4-fluorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine

C₂₅H₃₅FN₂O₂ — CID 24947570

About 3-(4-fluorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine

3-(4-fluorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine (PubChem CID 24947570) has the molecular formula C₂₅H₃₅FN₂O₂ and a molecular weight of 414.57 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine.

Molecular Properties

• Compound Name: 3-(4-fluorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine
• PubChem CID: 24947570
• Molecular Formula: C₂₅H₃₅FN₂O₂
• Molecular Weight: 414.57 g/mol
• Exact Mass: 414.27
• IUPAC Name: 3-(4-fluorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine
• SMILES: CN(C)CCC(Oc1ccc(F)cc1)c1ccc(OCCCN2CCCCC2)cc1
• InChI: InChI=1S/C25H35FN2O2/c1-27(2)19-15-25(30-24-13-9-22(26)10-14-24)21-7-11-23(12-8-21)29-20-6-18-28-16-4-3-5-17-28/h7-14,25H,3-6,15-20H2,1-2H3
• InChIKey: QSUBPHSKNHPROP-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.57
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine?

The IUPAC name of 3-(4-fluorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine (CID 24947570) is 3-(4-fluorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine.

What is the SMILES notation for 3-(4-fluorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine?

The canonical SMILES for 3-(4-fluorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine is CN(C)CCC(Oc1ccc(F)cc1)c1ccc(OCCCN2CCCCC2)cc1.

What is the InChIKey of 3-(4-fluorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine?

The InChIKey is QSUBPHSKNHPROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35FN2O2/c1-27(2)19-15-25(30-24-13-9-22(26)10-14-24)21-7-11-23(12-8-21)29-20-6-18-28-16-4-3-5-17-28/h7-14,25H,3-6,15-20H2,1-2H3.

What are the key properties of 3-(4-fluorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine?

3-(4-fluorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine has a molecular weight of 414.57 g/mol, XLogP of 5.15, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-fluorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine is sourced from PubChem (CID 24947570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 24947570 — identifiers, structure, computed properties (public domain)

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