1-(3-methoxyphenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine

C28H42N4O2 — CID 11568942

IUPAC1-(3-methoxyphenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine
SMILESCOc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(OC)c4)CC3)CC2)c1
InChIInChI=1S/C28H42N4O2/c1-33-27-11-7-9-25(23-27)31-19-15-29(16-20-31)13-5-3-4-6-14-30-17-21-32(22-18-30)26-10-8-12-28(24-26)34-2/h7-12,23-24H,3-6,13-22H2,1-2H3
InChIKeyIMWNCWRNMUKPGO-UHFFFAOYSA-N
MW466.67 g/mol
LogP4.21
Rot. Bonds11

About 1-(3-methoxyphenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine

1-(3-methoxyphenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine (PubChem CID 11568942) has the molecular formula C28H42N4O2 and a molecular weight of 466.67 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine
PubChem CID11568942
Molecular FormulaC28H42N4O2
Molecular Weight466.67 g/mol
Exact Mass466.33
IUPAC Name1-(3-methoxyphenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine
SMILESCOc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(OC)c4)CC3)CC2)c1
InChIInChI=1S/C28H42N4O2/c1-33-27-11-7-9-25(23-27)31-19-15-29(16-20-31)13-5-3-4-6-14-30-17-21-32(22-18-30)26-10-8-12-28(24-26)34-2/h7-12,23-24H,3-6,13-22H2,1-2H3
InChIKeyIMWNCWRNMUKPGO-UHFFFAOYSA-N
XLogP4.21
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.67
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(3-methoxyphenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine 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 1-(3-methoxyphenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine?
The IUPAC name of 1-(3-methoxyphenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine (CID 11568942) is 1-(3-methoxyphenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine?
The canonical SMILES for 1-(3-methoxyphenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine is COc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(OC)c4)CC3)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine?
The InChIKey is IMWNCWRNMUKPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4O2/c1-33-27-11-7-9-25(23-27)31-19-15-29(16-20-31)13-5-3-4-6-14-30-17-21-32(22-18-30)26-10-8-12-28(24-26)34-2/h7-12,23-24H,3-6,13-22H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine?
1-(3-methoxyphenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine has a molecular weight of 466.67 g/mol, XLogP of 4.21, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine is sourced from PubChem (CID 11568942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).