1-(4-fluoropiperazin-2-yl)-2-methylpropan-1-one

C8H15FN2O — CID 174694871

IUPAC1-(4-fluoropiperazin-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1CN(F)CCN1
InChIInChI=1S/C8H15FN2O/c1-6(2)8(12)7-5-11(9)4-3-10-7/h6-7,10H,3-5H2,1-2H3
InChIKeyYSZKSUFONUVZBQ-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.37
Rot. Bonds2

About 1-(4-fluoropiperazin-2-yl)-2-methylpropan-1-one

1-(4-fluoropiperazin-2-yl)-2-methylpropan-1-one (PubChem CID 174694871) has the molecular formula C8H15FN2O and a molecular weight of 174.22 g/mol. Its IUPAC name is 1-(4-fluoropiperazin-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-fluoropiperazin-2-yl)-2-methylpropan-1-one
PubChem CID174694871
Molecular FormulaC8H15FN2O
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC Name1-(4-fluoropiperazin-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1CN(F)CCN1
InChIInChI=1S/C8H15FN2O/c1-6(2)8(12)7-5-11(9)4-3-10-7/h6-7,10H,3-5H2,1-2H3
InChIKeyYSZKSUFONUVZBQ-UHFFFAOYSA-N
XLogP0.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoropiperazin-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-fluoropiperazin-2-yl)-2-methylpropan-1-one (CID 174694871) is 1-(4-fluoropiperazin-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-fluoropiperazin-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-fluoropiperazin-2-yl)-2-methylpropan-1-one is CC(C)C(=O)C1CN(F)CCN1.
What is the InChIKey of 1-(4-fluoropiperazin-2-yl)-2-methylpropan-1-one?
The InChIKey is YSZKSUFONUVZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O/c1-6(2)8(12)7-5-11(9)4-3-10-7/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 1-(4-fluoropiperazin-2-yl)-2-methylpropan-1-one?
1-(4-fluoropiperazin-2-yl)-2-methylpropan-1-one has a molecular weight of 174.22 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoropiperazin-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 174694871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).