1,4-bis(3-phenylselanylpropyl)piperazine

C22H30N2Se2 — CID 44521289

IUPAC1,4-bis(3-phenylselanylpropyl)piperazine
SMILESc1ccc([Se]CCCN2CCN(CCC[Se]c3ccccc3)CC2)cc1
InChIInChI=1S/C22H30N2Se2/c1-3-9-21(10-4-1)25-19-7-13-23-15-17-24(18-16-23)14-8-20-26-22-11-5-2-6-12-22/h1-6,9-12H,7-8,13-20H2
InChIKeyBXSUVZKSCHGXCM-UHFFFAOYSA-N
MW480.42 g/mol
LogP2.28
Rot. Bonds10

About 1,4-bis(3-phenylselanylpropyl)piperazine

1,4-bis(3-phenylselanylpropyl)piperazine (PubChem CID 44521289) has the molecular formula C22H30N2Se2 and a molecular weight of 480.42 g/mol. Its IUPAC name is 1,4-bis(3-phenylselanylpropyl)piperazine.

Molecular Properties

Compound Name1,4-bis(3-phenylselanylpropyl)piperazine
PubChem CID44521289
Molecular FormulaC22H30N2Se2
Molecular Weight480.42 g/mol
Exact Mass482.07
IUPAC Name1,4-bis(3-phenylselanylpropyl)piperazine
SMILESc1ccc([Se]CCCN2CCN(CCC[Se]c3ccccc3)CC2)cc1
InChIInChI=1S/C22H30N2Se2/c1-3-9-21(10-4-1)25-19-7-13-23-15-17-24(18-16-23)14-8-20-26-22-11-5-2-6-12-22/h1-6,9-12H,7-8,13-20H2
InChIKeyBXSUVZKSCHGXCM-UHFFFAOYSA-N
XLogP2.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.42
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(3-phenylselanylpropyl)piperazine?
The IUPAC name of 1,4-bis(3-phenylselanylpropyl)piperazine (CID 44521289) is 1,4-bis(3-phenylselanylpropyl)piperazine.
What is the SMILES notation for 1,4-bis(3-phenylselanylpropyl)piperazine?
The canonical SMILES for 1,4-bis(3-phenylselanylpropyl)piperazine is c1ccc([Se]CCCN2CCN(CCC[Se]c3ccccc3)CC2)cc1.
What is the InChIKey of 1,4-bis(3-phenylselanylpropyl)piperazine?
The InChIKey is BXSUVZKSCHGXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2Se2/c1-3-9-21(10-4-1)25-19-7-13-23-15-17-24(18-16-23)14-8-20-26-22-11-5-2-6-12-22/h1-6,9-12H,7-8,13-20H2.
What are the key properties of 1,4-bis(3-phenylselanylpropyl)piperazine?
1,4-bis(3-phenylselanylpropyl)piperazine has a molecular weight of 480.42 g/mol, XLogP of 2.28, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(3-phenylselanylpropyl)piperazine is sourced from PubChem (CID 44521289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).