1-benzhydryl-4-benzylpiperazine;oxalic acid

C26H28N2O4 — CID 23724260

IUPAC1-benzhydryl-4-benzylpiperazine;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H26N2.C2H2O4/c1-4-10-21(11-5-1)20-25-16-18-26(19-17-25)24(22-12-6-2-7-13-22)23-14-8-3-9-15-23;3-1(4)2(5)6/h1-15,24H,16-20H2;(H,3,4)(H,5,6)
InChIKeyNPYYVWVBNHVHQM-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.75
Rot. Bonds5

About 1-benzhydryl-4-benzylpiperazine;oxalic acid

1-benzhydryl-4-benzylpiperazine;oxalic acid (PubChem CID 23724260) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-benzhydryl-4-benzylpiperazine;oxalic acid.

Molecular Properties

Compound Name1-benzhydryl-4-benzylpiperazine;oxalic acid
PubChem CID23724260
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name1-benzhydryl-4-benzylpiperazine;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H26N2.C2H2O4/c1-4-10-21(11-5-1)20-25-16-18-26(19-17-25)24(22-12-6-2-7-13-22)23-14-8-3-9-15-23;3-1(4)2(5)6/h1-15,24H,16-20H2;(H,3,4)(H,5,6)
InChIKeyNPYYVWVBNHVHQM-UHFFFAOYSA-N
XLogP3.75
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-benzylpiperazine;oxalic acid?
The IUPAC name of 1-benzhydryl-4-benzylpiperazine;oxalic acid (CID 23724260) is 1-benzhydryl-4-benzylpiperazine;oxalic acid.
What is the SMILES notation for 1-benzhydryl-4-benzylpiperazine;oxalic acid?
The canonical SMILES for 1-benzhydryl-4-benzylpiperazine;oxalic acid is O=C(O)C(=O)O.c1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzhydryl-4-benzylpiperazine;oxalic acid?
The InChIKey is NPYYVWVBNHVHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2.C2H2O4/c1-4-10-21(11-5-1)20-25-16-18-26(19-17-25)24(22-12-6-2-7-13-22)23-14-8-3-9-15-23;3-1(4)2(5)6/h1-15,24H,16-20H2;(H,3,4)(H,5,6).
What are the key properties of 1-benzhydryl-4-benzylpiperazine;oxalic acid?
1-benzhydryl-4-benzylpiperazine;oxalic acid has a molecular weight of 432.52 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-benzylpiperazine;oxalic acid is sourced from PubChem (CID 23724260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).