1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone

C24H22F2N2O — CID 113081241

IUPAC1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCN(c2c(F)cccc2F)CC1
InChIInChI=1S/C24H22F2N2O/c25-20-12-7-13-21(26)23(20)27-14-16-28(17-15-27)24(29)22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,22H,14-17H2
InChIKeyPUZXPYNUMSPAAM-UHFFFAOYSA-N
MW392.45 g/mol
LogP4.45
Rot. Bonds4

About 1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone

1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone (PubChem CID 113081241) has the molecular formula C24H22F2N2O and a molecular weight of 392.45 g/mol. Its IUPAC name is 1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
PubChem CID113081241
Molecular FormulaC24H22F2N2O
Molecular Weight392.45 g/mol
Exact Mass392.17
IUPAC Name1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCN(c2c(F)cccc2F)CC1
InChIInChI=1S/C24H22F2N2O/c25-20-12-7-13-21(26)23(20)27-14-16-28(17-15-27)24(29)22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,22H,14-17H2
InChIKeyPUZXPYNUMSPAAM-UHFFFAOYSA-N
XLogP4.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
CID 17110283
1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
CID 113081358
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 78849819
[4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 113081228
2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 3636025
2,2-diphenyl-1-[4-(2,3,4-trifluorobenzoyl)piperazin-1-yl]ethanone
CID 108533885
1-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenylethanone
CID 4754589
1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone
CID 2303179
methyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
CID 110818280
1-[4-(2,6-difluorophenyl)piperazin-1-yl]propan-1-one
CID 113081212
cyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081215

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone (CID 113081241) is 1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone is O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2c(F)cccc2F)CC1.
What is the InChIKey of 1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone?
The InChIKey is PUZXPYNUMSPAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O/c25-20-12-7-13-21(26)23(20)27-14-16-28(17-15-27)24(29)22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,22H,14-17H2.
What are the key properties of 1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone?
1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone has a molecular weight of 392.45 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 113081241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).