1-(2-Fluoroethyl)-4-methylpiperazine

C7H15FN2 — CID 20649672

IUPAC1-(2-fluoroethyl)-4-methylpiperazine
SMILESCN1CCN(CC1)CCF
InChIInChI=1S/C7H15FN2/c1-9-4-6-10(3-2-8)7-5-9/h2-7H2,1H3
InChIKeyXQJYIJZETJDLPZ-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.40
Rot. Bonds2

About 1-(2-Fluoroethyl)-4-methylpiperazine

1-(2-Fluoroethyl)-4-methylpiperazine (PubChem CID 20649672) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-Fluoroethyl)-4-methylpiperazine
PubChem CID20649672
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name1-(2-fluoroethyl)-4-methylpiperazine
SMILESCN1CCN(CC1)CCF
InChIInChI=1S/C7H15FN2/c1-9-4-6-10(3-2-8)7-5-9/h2-7H2,1H3
InChIKeyXQJYIJZETJDLPZ-UHFFFAOYSA-N
XLogP0.40
TPSA6.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity89

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-Fluoroethyl)-4-methylpiperazine?
The IUPAC name of 1-(2-Fluoroethyl)-4-methylpiperazine (CID 20649672) is 1-(2-fluoroethyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-Fluoroethyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-Fluoroethyl)-4-methylpiperazine is CN1CCN(CC1)CCF.
What is the InChIKey of 1-(2-Fluoroethyl)-4-methylpiperazine?
The InChIKey is XQJYIJZETJDLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2/c1-9-4-6-10(3-2-8)7-5-9/h2-7H2,1H3.
What are the key properties of 1-(2-Fluoroethyl)-4-methylpiperazine?
1-(2-Fluoroethyl)-4-methylpiperazine has a molecular weight of 146.21 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-Fluoroethyl)-4-methylpiperazine is sourced from PubChem (CID 20649672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).