2-[5-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-4,4-dimethylpentoxy]pyrazine

C28H36N4O2 — CID 162666571

IUPAC2-[5-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-4,4-dimethylpentoxy]pyrazine
SMILESCOc1ccc(-c2ccccc2N2CCN(CC(C)(C)CCCOc3cnccn3)CC2)cc1
InChIInChI=1S/C28H36N4O2/c1-28(2,13-6-20-34-27-21-29-14-15-30-27)22-31-16-18-32(19-17-31)26-8-5-4-7-25(26)23-9-11-24(33-3)12-10-23/h4-5,7-12,14-15,21H,6,13,16-20,22H2,1-3H3
InChIKeyUWTXVKXFMPRIFG-UHFFFAOYSA-N
MW460.62 g/mol
LogP5.16
Rot. Bonds10

About 2-[5-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-4,4-dimethylpentoxy]pyrazine

2-[5-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-4,4-dimethylpentoxy]pyrazine (PubChem CID 162666571) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 2-[5-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-4,4-dimethylpentoxy]pyrazine.

Molecular Properties

Compound Name2-[5-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-4,4-dimethylpentoxy]pyrazine
PubChem CID162666571
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC Name2-[5-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-4,4-dimethylpentoxy]pyrazine
SMILESCOc1ccc(-c2ccccc2N2CCN(CC(C)(C)CCCOc3cnccn3)CC2)cc1
InChIInChI=1S/C28H36N4O2/c1-28(2,13-6-20-34-27-21-29-14-15-30-27)22-31-16-18-32(19-17-31)26-8-5-4-7-25(26)23-9-11-24(33-3)12-10-23/h4-5,7-12,14-15,21H,6,13,16-20,22H2,1-3H3
InChIKeyUWTXVKXFMPRIFG-UHFFFAOYSA-N
XLogP5.16
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[5-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-4,4-dimethylpentoxy]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-4,4-dimethylpentoxy]pyrazine?
The IUPAC name of 2-[5-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-4,4-dimethylpentoxy]pyrazine (CID 162666571) is 2-[5-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-4,4-dimethylpentoxy]pyrazine.
What is the SMILES notation for 2-[5-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-4,4-dimethylpentoxy]pyrazine?
The canonical SMILES for 2-[5-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-4,4-dimethylpentoxy]pyrazine is COc1ccc(-c2ccccc2N2CCN(CC(C)(C)CCCOc3cnccn3)CC2)cc1.
What is the InChIKey of 2-[5-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-4,4-dimethylpentoxy]pyrazine?
The InChIKey is UWTXVKXFMPRIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-28(2,13-6-20-34-27-21-29-14-15-30-27)22-31-16-18-32(19-17-31)26-8-5-4-7-25(26)23-9-11-24(33-3)12-10-23/h4-5,7-12,14-15,21H,6,13,16-20,22H2,1-3H3.
What are the key properties of 2-[5-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-4,4-dimethylpentoxy]pyrazine?
2-[5-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-4,4-dimethylpentoxy]pyrazine has a molecular weight of 460.62 g/mol, XLogP of 5.16, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-4,4-dimethylpentoxy]pyrazine is sourced from PubChem (CID 162666571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).