4-(2,3-difluorophenyl)-1-piperazin-1-ylpentan-1-one

C15H20F2N2O — CID 83925488

IUPAC4-(2,3-difluorophenyl)-1-piperazin-1-ylpentan-1-one
SMILESCC(CCC(=O)N1CCNCC1)c1cccc(F)c1F
InChIInChI=1S/C15H20F2N2O/c1-11(12-3-2-4-13(16)15(12)17)5-6-14(20)19-9-7-18-8-10-19/h2-4,11,18H,5-10H2,1H3
InChIKeyRRJRYUYRMNZBAF-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.28
Rot. Bonds4

About 4-(2,3-difluorophenyl)-1-piperazin-1-ylpentan-1-one

4-(2,3-difluorophenyl)-1-piperazin-1-ylpentan-1-one (PubChem CID 83925488) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-1-piperazin-1-ylpentan-1-one.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-1-piperazin-1-ylpentan-1-one
PubChem CID83925488
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name4-(2,3-difluorophenyl)-1-piperazin-1-ylpentan-1-one
SMILESCC(CCC(=O)N1CCNCC1)c1cccc(F)c1F
InChIInChI=1S/C15H20F2N2O/c1-11(12-3-2-4-13(16)15(12)17)5-6-14(20)19-9-7-18-8-10-19/h2-4,11,18H,5-10H2,1H3
InChIKeyRRJRYUYRMNZBAF-UHFFFAOYSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119403904
5-(2,3-difluorophenyl)hexan-2-one
CID 83925446
3-(2,3-difluorophenyl)-1-piperazin-1-ylpropan-1-one
CID 83925483
4-(2-hydroxy-6-methylphenyl)-1-piperazin-1-ylpentan-1-one
CID 83923767
2-(2,3-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119402946
3-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 62977945
4-(4-hydroxyphenyl)-1-piperazin-1-ylpentan-1-one
CID 83930393
2-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 61018397
3-[1-(2,3-difluorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 103915795
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
4-(2-chloro-6-fluorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 83925251
1-[(1S)-1-(2,3-difluorophenyl)propyl]piperazine
CID 171164114

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-1-piperazin-1-ylpentan-1-one?
The IUPAC name of 4-(2,3-difluorophenyl)-1-piperazin-1-ylpentan-1-one (CID 83925488) is 4-(2,3-difluorophenyl)-1-piperazin-1-ylpentan-1-one.
What is the SMILES notation for 4-(2,3-difluorophenyl)-1-piperazin-1-ylpentan-1-one?
The canonical SMILES for 4-(2,3-difluorophenyl)-1-piperazin-1-ylpentan-1-one is CC(CCC(=O)N1CCNCC1)c1cccc(F)c1F.
What is the InChIKey of 4-(2,3-difluorophenyl)-1-piperazin-1-ylpentan-1-one?
The InChIKey is RRJRYUYRMNZBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-11(12-3-2-4-13(16)15(12)17)5-6-14(20)19-9-7-18-8-10-19/h2-4,11,18H,5-10H2,1H3.
What are the key properties of 4-(2,3-difluorophenyl)-1-piperazin-1-ylpentan-1-one?
4-(2,3-difluorophenyl)-1-piperazin-1-ylpentan-1-one has a molecular weight of 282.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-1-piperazin-1-ylpentan-1-one is sourced from PubChem (CID 83925488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).