fluoro 4-methylpiperazine-1-carboxylate

C6H11FN2O2 — CID 145468337

IUPACfluoro 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OF)CC1
InChIInChI=1S/C6H11FN2O2/c1-8-2-4-9(5-3-8)6(10)11-7/h2-5H2,1H3
InChIKeyCECYQVBOLIHPKV-UHFFFAOYSA-N
MW162.16 g/mol
LogP0.25
Rot. Bonds

About fluoro 4-methylpiperazine-1-carboxylate

fluoro 4-methylpiperazine-1-carboxylate (PubChem CID 145468337) has the molecular formula C6H11FN2O2 and a molecular weight of 162.16 g/mol. Its IUPAC name is fluoro 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Namefluoro 4-methylpiperazine-1-carboxylate
PubChem CID145468337
Molecular FormulaC6H11FN2O2
Molecular Weight162.16 g/mol
Exact Mass162.08
IUPAC Namefluoro 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OF)CC1
InChIInChI=1S/C6H11FN2O2/c1-8-2-4-9(5-3-8)6(10)11-7/h2-5H2,1H3
InChIKeyCECYQVBOLIHPKV-UHFFFAOYSA-N
XLogP0.25
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of fluoro 4-methylpiperazine-1-carboxylate?
The IUPAC name of fluoro 4-methylpiperazine-1-carboxylate (CID 145468337) is fluoro 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for fluoro 4-methylpiperazine-1-carboxylate?
The canonical SMILES for fluoro 4-methylpiperazine-1-carboxylate is CN1CCN(C(=O)OF)CC1.
What is the InChIKey of fluoro 4-methylpiperazine-1-carboxylate?
The InChIKey is CECYQVBOLIHPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O2/c1-8-2-4-9(5-3-8)6(10)11-7/h2-5H2,1H3.
What are the key properties of fluoro 4-methylpiperazine-1-carboxylate?
fluoro 4-methylpiperazine-1-carboxylate has a molecular weight of 162.16 g/mol, XLogP of 0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 145468337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).