1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone

C19H20F2N2O — CID 113081387

IUPAC1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCN(c3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C19H20F2N2O/c1-14-3-2-4-15(11-14)12-19(24)23-9-7-22(8-10-23)16-5-6-17(20)18(21)13-16/h2-6,11,13H,7-10,12H2,1H3
InChIKeyCLCKECMQFUIYBI-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.16
Rot. Bonds3

About 1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone

1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone (PubChem CID 113081387) has the molecular formula C19H20F2N2O and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
PubChem CID113081387
Molecular FormulaC19H20F2N2O
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCN(c3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C19H20F2N2O/c1-14-3-2-4-15(11-14)12-19(24)23-9-7-22(8-10-23)16-5-6-17(20)18(21)13-16/h2-6,11,13H,7-10,12H2,1H3
InChIKeyCLCKECMQFUIYBI-UHFFFAOYSA-N
XLogP3.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)-1-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]ethanone
CID 113079066
3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]benzonitrile
CID 113080956
5-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one
CID 110735976
1-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113075538
2-(4-fluorophenyl)-N-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 1057942
1-(3-fluorophenyl)-3-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea
CID 1058047
2,2-dimethyl-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817960
3-fluoro-N-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]benzamide
CID 1057923
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822792
N-(3,4-difluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950492
2-methoxy-N-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 1057943
3-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110666027

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone (CID 113081387) is 1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)N2CCN(c3ccc(F)c(F)c3)CC2)c1.
What is the InChIKey of 1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone?
The InChIKey is CLCKECMQFUIYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O/c1-14-3-2-4-15(11-14)12-19(24)23-9-7-22(8-10-23)16-5-6-17(20)18(21)13-16/h2-6,11,13H,7-10,12H2,1H3.
What are the key properties of 1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone?
1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone has a molecular weight of 330.38 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 113081387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).