1-(2,3-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one

C15H20F2N2O — CID 115414552

IUPAC1-(2,3-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one
SMILESCN1CCN(C)C(CC(=O)Cc2cccc(F)c2F)C1
InChIInChI=1S/C15H20F2N2O/c1-18-6-7-19(2)12(10-18)9-13(20)8-11-4-3-5-14(16)15(11)17/h3-5,12H,6-10H2,1-2H3
InChIKeyHJLUFSARODSXSN-UHFFFAOYSA-N
MW282.33 g/mol
LogP1.71
Rot. Bonds4

About 1-(2,3-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one

1-(2,3-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one (PubChem CID 115414552) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one
PubChem CID115414552
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name1-(2,3-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one
SMILESCN1CCN(C)C(CC(=O)Cc2cccc(F)c2F)C1
InChIInChI=1S/C15H20F2N2O/c1-18-6-7-19(2)12(10-18)9-13(20)8-11-4-3-5-14(16)15(11)17/h3-5,12H,6-10H2,1-2H3
InChIKeyHJLUFSARODSXSN-UHFFFAOYSA-N
XLogP1.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-one
CID 115414554
1-(4-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one
CID 115414660
1-(3,4-dimethylphenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one
CID 115414667
1-(1,4-dimethylpiperazin-2-yl)-4-phenylbutan-2-one
CID 115414666
1-(1,4-dimethylpiperazin-2-yl)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 115414583
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917543
(6S)-1-[(2,3-difluorophenyl)methyl]-4-methyl-1,4-diazepane-6-carboxamide
CID 124969991
N-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897583
[1-(2,3-difluorophenyl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105260157
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-difluorophenyl)propan-2-one
CID 116588445
1-(2,3-difluorophenyl)-3-(oxolan-3-yl)propan-2-one
CID 103986174
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 90649232

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one?
The IUPAC name of 1-(2,3-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one (CID 115414552) is 1-(2,3-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one is CN1CCN(C)C(CC(=O)Cc2cccc(F)c2F)C1.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one?
The InChIKey is HJLUFSARODSXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-18-6-7-19(2)12(10-18)9-13(20)8-11-4-3-5-14(16)15(11)17/h3-5,12H,6-10H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one?
1-(2,3-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one has a molecular weight of 282.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one is sourced from PubChem (CID 115414552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).