(3,4-dimethylphenyl)-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanone

C20H23FN2O — CID 537784

IUPAC(3,4-dimethylphenyl)-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanone
SMILESCc1ccc(C(=O)c2ccc(N3CCN(C)CC3)c(F)c2)cc1C
InChIInChI=1S/C20H23FN2O/c1-14-4-5-16(12-15(14)2)20(24)17-6-7-19(18(21)13-17)23-10-8-22(3)9-11-23/h4-7,12-13H,8-11H2,1-3H3
InChIKeyGJWCWMLYQXWXRM-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.43
Rot. Bonds3

About (3,4-dimethylphenyl)-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanone

(3,4-dimethylphenyl)-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanone (PubChem CID 537784) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanone
PubChem CID537784
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name(3,4-dimethylphenyl)-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanone
SMILESCc1ccc(C(=O)c2ccc(N3CCN(C)CC3)c(F)c2)cc1C
InChIInChI=1S/C20H23FN2O/c1-14-4-5-16(12-15(14)2)20(24)17-6-7-19(18(21)13-17)23-10-8-22(3)9-11-23/h4-7,12-13H,8-11H2,1-3H3
InChIKeyGJWCWMLYQXWXRM-UHFFFAOYSA-N
XLogP3.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4'-Bis(dimethylamino)benzophenone
CID 7031
4,4'-Bis(diethylamino)benzophenone
CID 66663
1-[3-Fluoro-4-(piperidin-1-yl)phenyl]ethan-1-one
CID 775592
4-(4-Methyl-1-piperazinyl)acetophenone
CID 33551
Propiophenone, 3-(4-phenyl-1-piperazinyl)-
CID 213313
Butropipazone
CID 16889
4-Dimethylamino-4'-fluorochalcone
CID 5709047
2-Piperidinoanthraquinone
CID 238958
4'-Piperidinoacetophenone
CID 82561
1,2-Bis(4-(dimethylamino)phenyl)ethane-1,2-dione
CID 222570
4-(4-acetylphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 2211455
[4-(2-Fluorophenyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 1321088

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanone (CID 537784) is (3,4-dimethylphenyl)-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanone is Cc1ccc(C(=O)c2ccc(N3CCN(C)CC3)c(F)c2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanone?
The InChIKey is GJWCWMLYQXWXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-14-4-5-16(12-15(14)2)20(24)17-6-7-19(18(21)13-17)23-10-8-22(3)9-11-23/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanone?
(3,4-dimethylphenyl)-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanone has a molecular weight of 326.42 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methanone is sourced from PubChem (CID 537784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).