1-(3,5-difluorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one

C15H20F2N2O — CID 105412044

IUPAC1-(3,5-difluorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
SMILESCC(C)(C(=O)Cc1cc(F)cc(F)c1)N1CCNCC1
InChIInChI=1S/C15H20F2N2O/c1-15(2,19-5-3-18-4-6-19)14(20)9-11-7-12(16)10-13(17)8-11/h7-8,10,18H,3-6,9H2,1-2H3
InChIKeySLHIXXKYKMNWAE-UHFFFAOYSA-N
MW282.33 g/mol
LogP1.76
Rot. Bonds4

About 1-(3,5-difluorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one

1-(3,5-difluorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one (PubChem CID 105412044) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
PubChem CID105412044
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name1-(3,5-difluorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
SMILESCC(C)(C(=O)Cc1cc(F)cc(F)c1)N1CCNCC1
InChIInChI=1S/C15H20F2N2O/c1-15(2,19-5-3-18-4-6-19)14(20)9-11-7-12(16)10-13(17)8-11/h7-8,10,18H,3-6,9H2,1-2H3
InChIKeySLHIXXKYKMNWAE-UHFFFAOYSA-N
XLogP1.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one?
The IUPAC name of 1-(3,5-difluorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one (CID 105412044) is 1-(3,5-difluorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one is CC(C)(C(=O)Cc1cc(F)cc(F)c1)N1CCNCC1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one?
The InChIKey is SLHIXXKYKMNWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-15(2,19-5-3-18-4-6-19)14(20)9-11-7-12(16)10-13(17)8-11/h7-8,10,18H,3-6,9H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one?
1-(3,5-difluorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one has a molecular weight of 282.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one is sourced from PubChem (CID 105412044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).