2-(2-fluorophenoxy)-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]butan-1-one

C18H25FN2O2 — CID 16677780

IUPAC2-(2-fluorophenoxy)-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]butan-1-one
SMILESC=C(C)CN1CCN(C(=O)C(CC)Oc2ccccc2F)CC1
InChIInChI=1S/C18H25FN2O2/c1-4-16(23-17-8-6-5-7-15(17)19)18(22)21-11-9-20(10-12-21)13-14(2)3/h5-8,16H,2,4,9-13H2,1,3H3
InChIKeyIXCKAFPVURRGGG-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.70
Rot. Bonds6

About 2-(2-fluorophenoxy)-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]butan-1-one

2-(2-fluorophenoxy)-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]butan-1-one (PubChem CID 16677780) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]butan-1-one
PubChem CID16677780
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name2-(2-fluorophenoxy)-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]butan-1-one
SMILESC=C(C)CN1CCN(C(=O)C(CC)Oc2ccccc2F)CC1
InChIInChI=1S/C18H25FN2O2/c1-4-16(23-17-8-6-5-7-15(17)19)18(22)21-11-9-20(10-12-21)13-14(2)3/h5-8,16H,2,4,9-13H2,1,3H3
InChIKeyIXCKAFPVURRGGG-UHFFFAOYSA-N
XLogP2.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 2-(2-fluorophenoxy)-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]butan-1-one (CID 16677780) is 2-(2-fluorophenoxy)-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-(2-fluorophenoxy)-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]butan-1-one is C=C(C)CN1CCN(C(=O)C(CC)Oc2ccccc2F)CC1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]butan-1-one?
The InChIKey is IXCKAFPVURRGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-4-16(23-17-8-6-5-7-15(17)19)18(22)21-11-9-20(10-12-21)13-14(2)3/h5-8,16H,2,4,9-13H2,1,3H3.
What are the key properties of 2-(2-fluorophenoxy)-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]butan-1-one?
2-(2-fluorophenoxy)-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]butan-1-one has a molecular weight of 320.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 16677780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).