2-(1-piperazin-2-ylhexyl)piperazine

C14H30N4 — CID 21396915

IUPAC2-(1-piperazin-2-ylhexyl)piperazine
SMILESCCCCCC(C1CNCCN1)C1CNCCN1
InChIInChI=1S/C14H30N4/c1-2-3-4-5-12(13-10-15-6-8-17-13)14-11-16-7-9-18-14/h12-18H,2-11H2,1H3
InChIKeyNVJVIJIGZLYZMF-UHFFFAOYSA-N
MW254.42 g/mol
LogP0.31
Rot. Bonds6

About 2-(1-piperazin-2-ylhexyl)piperazine

2-(1-piperazin-2-ylhexyl)piperazine (PubChem CID 21396915) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-(1-piperazin-2-ylhexyl)piperazine.

Molecular Properties

Compound Name2-(1-piperazin-2-ylhexyl)piperazine
PubChem CID21396915
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name2-(1-piperazin-2-ylhexyl)piperazine
SMILESCCCCCC(C1CNCCN1)C1CNCCN1
InChIInChI=1S/C14H30N4/c1-2-3-4-5-12(13-10-15-6-8-17-13)14-11-16-7-9-18-14/h12-18H,2-11H2,1H3
InChIKeyNVJVIJIGZLYZMF-UHFFFAOYSA-N
XLogP0.31
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 50.31
H-Bond Donors ≤ 54
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 2-(1-piperazin-2-ylhexyl)piperazine?
The IUPAC name of 2-(1-piperazin-2-ylhexyl)piperazine (CID 21396915) is 2-(1-piperazin-2-ylhexyl)piperazine.
What is the SMILES notation for 2-(1-piperazin-2-ylhexyl)piperazine?
The canonical SMILES for 2-(1-piperazin-2-ylhexyl)piperazine is CCCCCC(C1CNCCN1)C1CNCCN1.
What is the InChIKey of 2-(1-piperazin-2-ylhexyl)piperazine?
The InChIKey is NVJVIJIGZLYZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-2-3-4-5-12(13-10-15-6-8-17-13)14-11-16-7-9-18-14/h12-18H,2-11H2,1H3.
What are the key properties of 2-(1-piperazin-2-ylhexyl)piperazine?
2-(1-piperazin-2-ylhexyl)piperazine has a molecular weight of 254.42 g/mol, XLogP of 0.31, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperazin-2-ylhexyl)piperazine is sourced from PubChem (CID 21396915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).