1-(4-methoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine

C24H26N2O — CID 71602585

IUPAC1-(4-methoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine
SMILESCOc1ccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C24H26N2O/c1-27-23-13-11-22(12-14-23)26-17-15-25(16-18-26)19-21-9-5-6-10-24(21)20-7-3-2-4-8-20/h2-14H,15-19H2,1H3
InChIKeyOCJKEFFQAUMPTO-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.68
Rot. Bonds5

About 1-(4-methoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine

1-(4-methoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine (PubChem CID 71602585) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine
PubChem CID71602585
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name1-(4-methoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine
SMILESCOc1ccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C24H26N2O/c1-27-23-13-11-22(12-14-23)26-17-15-25(16-18-26)19-21-9-5-6-10-24(21)20-7-3-2-4-8-20/h2-14H,15-19H2,1H3
InChIKeyOCJKEFFQAUMPTO-UHFFFAOYSA-N
XLogP4.68
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine (CID 71602585) is 1-(4-methoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine is COc1ccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine?
The InChIKey is OCJKEFFQAUMPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-27-23-13-11-22(12-14-23)26-17-15-25(16-18-26)19-21-9-5-6-10-24(21)20-7-3-2-4-8-20/h2-14H,15-19H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine?
1-(4-methoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine has a molecular weight of 358.49 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine is sourced from PubChem (CID 71602585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).