2-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]pyrazine

C25H30N4O2 — CID 162664534

IUPAC2-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]pyrazine
SMILESCOc1ccc(-c2ccccc2N2CCN(CCCCOc3cnccn3)CC2)cc1
InChIInChI=1S/C25H30N4O2/c1-30-22-10-8-21(9-11-22)23-6-2-3-7-24(23)29-17-15-28(16-18-29)14-4-5-19-31-25-20-26-12-13-27-25/h2-3,6-13,20H,4-5,14-19H2,1H3
InChIKeyNPKVQHQXWXOCJP-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.13
Rot. Bonds9

About 2-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]pyrazine

2-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]pyrazine (PubChem CID 162664534) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]pyrazine.

Molecular Properties

Compound Name2-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]pyrazine
PubChem CID162664534
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name2-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]pyrazine
SMILESCOc1ccc(-c2ccccc2N2CCN(CCCCOc3cnccn3)CC2)cc1
InChIInChI=1S/C25H30N4O2/c1-30-22-10-8-21(9-11-22)23-6-2-3-7-24(23)29-17-15-28(16-18-29)14-4-5-19-31-25-20-26-12-13-27-25/h2-3,6-13,20H,4-5,14-19H2,1H3
InChIKeyNPKVQHQXWXOCJP-UHFFFAOYSA-N
XLogP4.13
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]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-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]pyrazine?
The IUPAC name of 2-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]pyrazine (CID 162664534) is 2-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]pyrazine.
What is the SMILES notation for 2-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]pyrazine?
The canonical SMILES for 2-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]pyrazine is COc1ccc(-c2ccccc2N2CCN(CCCCOc3cnccn3)CC2)cc1.
What is the InChIKey of 2-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]pyrazine?
The InChIKey is NPKVQHQXWXOCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-30-22-10-8-21(9-11-22)23-6-2-3-7-24(23)29-17-15-28(16-18-29)14-4-5-19-31-25-20-26-12-13-27-25/h2-3,6-13,20H,4-5,14-19H2,1H3.
What are the key properties of 2-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]pyrazine?
2-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]pyrazine has a molecular weight of 418.54 g/mol, XLogP of 4.13, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]pyrazine is sourced from PubChem (CID 162664534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).