1-(4-fluorobutyl)-4-methylpiperazine

C9H19FN2 — CID 20649682

IUPAC1-(4-fluorobutyl)-4-methylpiperazine
SMILESCN1CCN(CCCCF)CC1
InChIInChI=1S/C9H19FN2/c1-11-6-8-12(9-7-11)5-3-2-4-10/h2-9H2,1H3
InChIKeyQMLDFBOPZOFOFN-UHFFFAOYSA-N
MW174.26 g/mol
LogP0.98
Rot. Bonds4

About 1-(4-fluorobutyl)-4-methylpiperazine

1-(4-fluorobutyl)-4-methylpiperazine (PubChem CID 20649682) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is 1-(4-fluorobutyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(4-fluorobutyl)-4-methylpiperazine
PubChem CID20649682
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name1-(4-fluorobutyl)-4-methylpiperazine
SMILESCN1CCN(CCCCF)CC1
InChIInChI=1S/C9H19FN2/c1-11-6-8-12(9-7-11)5-3-2-4-10/h2-9H2,1H3
InChIKeyQMLDFBOPZOFOFN-UHFFFAOYSA-N
XLogP0.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 50.98
H-Bond Donors ≤ 50
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 1-(4-fluorobutyl)-4-methylpiperazine?
The IUPAC name of 1-(4-fluorobutyl)-4-methylpiperazine (CID 20649682) is 1-(4-fluorobutyl)-4-methylpiperazine.
What is the SMILES notation for 1-(4-fluorobutyl)-4-methylpiperazine?
The canonical SMILES for 1-(4-fluorobutyl)-4-methylpiperazine is CN1CCN(CCCCF)CC1.
What is the InChIKey of 1-(4-fluorobutyl)-4-methylpiperazine?
The InChIKey is QMLDFBOPZOFOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c1-11-6-8-12(9-7-11)5-3-2-4-10/h2-9H2,1H3.
What are the key properties of 1-(4-fluorobutyl)-4-methylpiperazine?
1-(4-fluorobutyl)-4-methylpiperazine has a molecular weight of 174.26 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobutyl)-4-methylpiperazine is sourced from PubChem (CID 20649682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).