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

C26H36Cl2N4 — CID 11641429

IUPAC1-(3-chlorophenyl)-4-[6-[4-(3-chlorophenyl)piperazin-1-yl]hexyl]piperazine
SMILESClc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(Cl)c4)CC3)CC2)c1
InChIInChI=1S/C26H36Cl2N4/c27-23-7-5-9-25(21-23)31-17-13-29(14-18-31)11-3-1-2-4-12-30-15-19-32(20-16-30)26-10-6-8-24(28)22-26/h5-10,21-22H,1-4,11-20H2
InChIKeyYWGRWBCJUGEEBA-UHFFFAOYSA-N
MW475.51 g/mol
LogP5.50
Rot. Bonds9

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

1-(3-chlorophenyl)-4-[6-[4-(3-chlorophenyl)piperazin-1-yl]hexyl]piperazine (PubChem CID 11641429) has the molecular formula C26H36Cl2N4 and a molecular weight of 475.51 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[6-[4-(3-chlorophenyl)piperazin-1-yl]hexyl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[6-[4-(3-chlorophenyl)piperazin-1-yl]hexyl]piperazine
PubChem CID11641429
Molecular FormulaC26H36Cl2N4
Molecular Weight475.51 g/mol
Exact Mass474.23
IUPAC Name1-(3-chlorophenyl)-4-[6-[4-(3-chlorophenyl)piperazin-1-yl]hexyl]piperazine
SMILESClc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(Cl)c4)CC3)CC2)c1
InChIInChI=1S/C26H36Cl2N4/c27-23-7-5-9-25(21-23)31-17-13-29(14-18-31)11-3-1-2-4-12-30-15-19-32(20-16-30)26-10-6-8-24(28)22-26/h5-10,21-22H,1-4,11-20H2
InChIKeyYWGRWBCJUGEEBA-UHFFFAOYSA-N
XLogP5.50
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.51
LogP ≤ 55.50
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-chlorophenyl)-4-[6-[4-(3-chlorophenyl)piperazin-1-yl]hexyl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[6-[4-(3-chlorophenyl)piperazin-1-yl]hexyl]piperazine (CID 11641429) is 1-(3-chlorophenyl)-4-[6-[4-(3-chlorophenyl)piperazin-1-yl]hexyl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[6-[4-(3-chlorophenyl)piperazin-1-yl]hexyl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[6-[4-(3-chlorophenyl)piperazin-1-yl]hexyl]piperazine is Clc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(Cl)c4)CC3)CC2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[6-[4-(3-chlorophenyl)piperazin-1-yl]hexyl]piperazine?
The InChIKey is YWGRWBCJUGEEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36Cl2N4/c27-23-7-5-9-25(21-23)31-17-13-29(14-18-31)11-3-1-2-4-12-30-15-19-32(20-16-30)26-10-6-8-24(28)22-26/h5-10,21-22H,1-4,11-20H2.
What are the key properties of 1-(3-chlorophenyl)-4-[6-[4-(3-chlorophenyl)piperazin-1-yl]hexyl]piperazine?
1-(3-chlorophenyl)-4-[6-[4-(3-chlorophenyl)piperazin-1-yl]hexyl]piperazine has a molecular weight of 475.51 g/mol, XLogP of 5.50, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[6-[4-(3-chlorophenyl)piperazin-1-yl]hexyl]piperazine is sourced from PubChem (CID 11641429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).