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

C28H42N4 — CID 11669239

IUPAC1-(3-methylphenyl)-4-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazine
SMILESCc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(C)c4)CC3)CC2)c1
InChIInChI=1S/C28H42N4/c1-25-9-7-11-27(23-25)31-19-15-29(16-20-31)13-5-3-4-6-14-30-17-21-32(22-18-30)28-12-8-10-26(2)24-28/h7-12,23-24H,3-6,13-22H2,1-2H3
InChIKeyCQEUVRXXXLSTIL-UHFFFAOYSA-N
MW434.67 g/mol
LogP4.81
Rot. Bonds9

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

1-(3-methylphenyl)-4-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazine (PubChem CID 11669239) has the molecular formula C28H42N4 and a molecular weight of 434.67 g/mol. Its IUPAC name is 1-(3-methylphenyl)-4-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazine.

Molecular Properties

Compound Name1-(3-methylphenyl)-4-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazine
PubChem CID11669239
Molecular FormulaC28H42N4
Molecular Weight434.67 g/mol
Exact Mass434.34
IUPAC Name1-(3-methylphenyl)-4-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazine
SMILESCc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(C)c4)CC3)CC2)c1
InChIInChI=1S/C28H42N4/c1-25-9-7-11-27(23-25)31-19-15-29(16-20-31)13-5-3-4-6-14-30-17-21-32(22-18-30)28-12-8-10-26(2)24-28/h7-12,23-24H,3-6,13-22H2,1-2H3
InChIKeyCQEUVRXXXLSTIL-UHFFFAOYSA-N
XLogP4.81
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.67
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-4-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazine?
The IUPAC name of 1-(3-methylphenyl)-4-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazine (CID 11669239) is 1-(3-methylphenyl)-4-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazine.
What is the SMILES notation for 1-(3-methylphenyl)-4-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazine?
The canonical SMILES for 1-(3-methylphenyl)-4-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazine is Cc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(C)c4)CC3)CC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-4-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazine?
The InChIKey is CQEUVRXXXLSTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4/c1-25-9-7-11-27(23-25)31-19-15-29(16-20-31)13-5-3-4-6-14-30-17-21-32(22-18-30)28-12-8-10-26(2)24-28/h7-12,23-24H,3-6,13-22H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-4-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazine?
1-(3-methylphenyl)-4-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazine has a molecular weight of 434.67 g/mol, XLogP of 4.81, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-4-[6-[4-(3-methylphenyl)piperazin-1-yl]hexyl]piperazine is sourced from PubChem (CID 11669239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).