1-(4-piperazin-1-ylbutyl)piperazine

C12H26N4 — CID 18770422

IUPAC1-(4-piperazin-1-ylbutyl)piperazine
SMILESC(CCN1CCNCC1)CN1CCNCC1
InChIInChI=1S/C12H26N4/c1(7-15-9-3-13-4-10-15)2-8-16-11-5-14-6-12-16/h13-14H,1-12H2
InChIKeyAVFRDISAASWVKR-UHFFFAOYSA-N
MW226.37 g/mol
LogP-0.42
Rot. Bonds5

About 1-(4-piperazin-1-ylbutyl)piperazine

1-(4-piperazin-1-ylbutyl)piperazine (PubChem CID 18770422) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 1-(4-piperazin-1-ylbutyl)piperazine.

Molecular Properties

Compound Name1-(4-piperazin-1-ylbutyl)piperazine
PubChem CID18770422
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name1-(4-piperazin-1-ylbutyl)piperazine
SMILESC(CCN1CCNCC1)CN1CCNCC1
InChIInChI=1S/C12H26N4/c1(7-15-9-3-13-4-10-15)2-8-16-11-5-14-6-12-16/h13-14H,1-12H2
InChIKeyAVFRDISAASWVKR-UHFFFAOYSA-N
XLogP-0.42
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
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-(4-piperazin-1-ylbutyl)piperazine?
The IUPAC name of 1-(4-piperazin-1-ylbutyl)piperazine (CID 18770422) is 1-(4-piperazin-1-ylbutyl)piperazine.
What is the SMILES notation for 1-(4-piperazin-1-ylbutyl)piperazine?
The canonical SMILES for 1-(4-piperazin-1-ylbutyl)piperazine is C(CCN1CCNCC1)CN1CCNCC1.
What is the InChIKey of 1-(4-piperazin-1-ylbutyl)piperazine?
The InChIKey is AVFRDISAASWVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1(7-15-9-3-13-4-10-15)2-8-16-11-5-14-6-12-16/h13-14H,1-12H2.
What are the key properties of 1-(4-piperazin-1-ylbutyl)piperazine?
1-(4-piperazin-1-ylbutyl)piperazine has a molecular weight of 226.37 g/mol, XLogP of -0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperazin-1-ylbutyl)piperazine is sourced from PubChem (CID 18770422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).