1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone

C20H23FN2O — CID 113075631

IUPAC1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
SMILESCc1cc(C)cc(N2CCN(C(=O)Cc3ccccc3F)CC2)c1
InChIInChI=1S/C20H23FN2O/c1-15-11-16(2)13-18(12-15)22-7-9-23(10-8-22)20(24)14-17-5-3-4-6-19(17)21/h3-6,11-13H,7-10,14H2,1-2H3
InChIKeyJIBSBTHOQKKHFY-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.33
Rot. Bonds3

About 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone

1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone (PubChem CID 113075631) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
PubChem CID113075631
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
SMILESCc1cc(C)cc(N2CCN(C(=O)Cc3ccccc3F)CC2)c1
InChIInChI=1S/C20H23FN2O/c1-15-11-16(2)13-18(12-15)22-7-9-23(10-8-22)20(24)14-17-5-3-4-6-19(17)21/h3-6,11-13H,7-10,14H2,1-2H3
InChIKeyJIBSBTHOQKKHFY-UHFFFAOYSA-N
XLogP3.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 56820365
1-[4-(4-bromo-2-methylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113079541
1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113079899
N-[2-(2-fluorophenyl)ethyl]-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108948236
1-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]-1,4-diazepan-1-yl]-2-(2-fluorophenyl)ethanone
CID 110809731
1-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113076496
2-(2-fluorophenyl)-1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122332331
2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 92681315
2-(2-fluorophenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 60590521
2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]benzonitrile
CID 113080843
1-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 110798668
(2R)-2-amino-1-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119306879

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone (CID 113075631) is 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone is Cc1cc(C)cc(N2CCN(C(=O)Cc3ccccc3F)CC2)c1.
What is the InChIKey of 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone?
The InChIKey is JIBSBTHOQKKHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-15-11-16(2)13-18(12-15)22-7-9-23(10-8-22)20(24)14-17-5-3-4-6-19(17)21/h3-6,11-13H,7-10,14H2,1-2H3.
What are the key properties of 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone?
1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone has a molecular weight of 326.42 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 113075631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).