4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid

C₂₂H₂₇NO₅ — CID 2923141

About 4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid

4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid (PubChem CID 2923141) has the molecular formula C₂₂H₂₇NO₅ and a molecular weight of 385.46 g/mol. Its IUPAC name is 4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid.

Molecular Properties

• Compound Name: 4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid
• PubChem CID: 2923141
• Molecular Formula: C₂₂H₂₇NO₅
• Molecular Weight: 385.46 g/mol
• Exact Mass: 385.19
• IUPAC Name: 4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid
• SMILES: O=C(O)C(=O)O.c1ccc(CC2CCN(CCOc3ccccc3)CC2)cc1
• InChI: InChI=1S/C20H25NO.C2H2O4/c1-3-7-18(8-4-1)17-19-11-13-21(14-12-19)15-16-22-20-9-5-2-6-10-20;3-1(4)2(5)6/h1-10,19H,11-17H2;(H,3,4)(H,5,6)
• InChIKey: JBQLZLFPXBXLFP-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 87.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.46
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid?

The IUPAC name of 4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid (CID 2923141) is 4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid.

What is the SMILES notation for 4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid?

The canonical SMILES for 4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid is O=C(O)C(=O)O.c1ccc(CC2CCN(CCOc3ccccc3)CC2)cc1.

What is the InChIKey of 4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid?

The InChIKey is JBQLZLFPXBXLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO.C2H2O4/c1-3-7-18(8-4-1)17-19-11-13-21(14-12-19)15-16-22-20-9-5-2-6-10-20;3-1(4)2(5)6/h1-10,19H,11-17H2;(H,3,4)(H,5,6).

What are the key properties of 4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid?

4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid has a molecular weight of 385.46 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid is sourced from PubChem (CID 2923141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2923141 — identifiers, structure, computed properties (public domain)

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