1-(2-benzhydryloxyethyl)-4-benzylpiperazine

C₂₆H₃₀N₂O — CID 127026611

About 1-(2-benzhydryloxyethyl)-4-benzylpiperazine

1-(2-benzhydryloxyethyl)-4-benzylpiperazine (PubChem CID 127026611) has the molecular formula C₂₆H₃₀N₂O and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-(2-benzhydryloxyethyl)-4-benzylpiperazine.

Molecular Properties

• Compound Name: 1-(2-benzhydryloxyethyl)-4-benzylpiperazine
• PubChem CID: 127026611
• Molecular Formula: C₂₆H₃₀N₂O
• Molecular Weight: 386.54 g/mol
• Exact Mass: 386.24
• IUPAC Name: 1-(2-benzhydryloxyethyl)-4-benzylpiperazine
• SMILES: c1ccc(CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
• InChI: InChI=1S/C26H30N2O/c1-4-10-23(11-5-1)22-28-18-16-27(17-19-28)20-21-29-26(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26H,16-22H2
• InChIKey: WGZMEYJQURFGQU-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.54
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzhydryloxyethyl)-4-benzylpiperazine?

The IUPAC name of 1-(2-benzhydryloxyethyl)-4-benzylpiperazine (CID 127026611) is 1-(2-benzhydryloxyethyl)-4-benzylpiperazine.

What is the SMILES notation for 1-(2-benzhydryloxyethyl)-4-benzylpiperazine?

The canonical SMILES for 1-(2-benzhydryloxyethyl)-4-benzylpiperazine is c1ccc(CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1.

What is the InChIKey of 1-(2-benzhydryloxyethyl)-4-benzylpiperazine?

The InChIKey is WGZMEYJQURFGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O/c1-4-10-23(11-5-1)22-28-18-16-27(17-19-28)20-21-29-26(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26H,16-22H2.

What are the key properties of 1-(2-benzhydryloxyethyl)-4-benzylpiperazine?

1-(2-benzhydryloxyethyl)-4-benzylpiperazine has a molecular weight of 386.54 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-benzhydryloxyethyl)-4-benzylpiperazine is sourced from PubChem (CID 127026611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 127026611 — identifiers, structure, computed properties (public domain)

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