2-hexyl-5-methylpiperazine

C11H24N2 — CID 153393891

IUPAC2-hexyl-5-methylpiperazine
SMILESCCCCCCC1CNC(C)CN1
InChIInChI=1S/C11H24N2/c1-3-4-5-6-7-11-9-12-10(2)8-13-11/h10-13H,3-9H2,1-2H3
InChIKeyKFYAZGQZCASQRL-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.91
Rot. Bonds5

About 2-hexyl-5-methylpiperazine

2-hexyl-5-methylpiperazine (PubChem CID 153393891) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 2-hexyl-5-methylpiperazine.

Molecular Properties

Compound Name2-hexyl-5-methylpiperazine
PubChem CID153393891
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name2-hexyl-5-methylpiperazine
SMILESCCCCCCC1CNC(C)CN1
InChIInChI=1S/C11H24N2/c1-3-4-5-6-7-11-9-12-10(2)8-13-11/h10-13H,3-9H2,1-2H3
InChIKeyKFYAZGQZCASQRL-UHFFFAOYSA-N
XLogP1.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-hexyl-5-methylpiperazine?
The IUPAC name of 2-hexyl-5-methylpiperazine (CID 153393891) is 2-hexyl-5-methylpiperazine.
What is the SMILES notation for 2-hexyl-5-methylpiperazine?
The canonical SMILES for 2-hexyl-5-methylpiperazine is CCCCCCC1CNC(C)CN1.
What is the InChIKey of 2-hexyl-5-methylpiperazine?
The InChIKey is KFYAZGQZCASQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-3-4-5-6-7-11-9-12-10(2)8-13-11/h10-13H,3-9H2,1-2H3.
What are the key properties of 2-hexyl-5-methylpiperazine?
2-hexyl-5-methylpiperazine has a molecular weight of 184.33 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-5-methylpiperazine is sourced from PubChem (CID 153393891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).