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

C24H22F2N2O — CID 113081358

IUPAC1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCN(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C24H22F2N2O/c25-21-12-11-20(17-22(21)26)27-13-15-28(16-14-27)24(29)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,23H,13-16H2
InChIKeyHNDSFFHMVZVYEU-UHFFFAOYSA-N
MW392.45 g/mol
LogP4.45
Rot. Bonds4

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

1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone (PubChem CID 113081358) has the molecular formula C24H22F2N2O and a molecular weight of 392.45 g/mol. Its IUPAC name is 1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
PubChem CID113081358
Molecular FormulaC24H22F2N2O
Molecular Weight392.45 g/mol
Exact Mass392.17
IUPAC Name1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCN(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C24H22F2N2O/c25-21-12-11-20(17-22(21)26)27-13-15-28(16-14-27)24(29)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,23H,13-16H2
InChIKeyHNDSFFHMVZVYEU-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-(2,6-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
CID 113081241
[4-(3,4-difluorophenyl)piperazin-1-yl]-phenylmethanone
CID 113081342
1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
CID 17110283
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183
1,3-bis[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylpropane-1,3-dione
CID 3394778
2,2-diphenyl-1-[4-(2,3,4-trifluorobenzoyl)piperazin-1-yl]ethanone
CID 108533885
4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113112770
2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 3636025
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 78849819
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone
CID 108533859
[4-(3,4-difluorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 86345157
(2S)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 71720882

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone (CID 113081358) is 1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone is O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone?
The InChIKey is HNDSFFHMVZVYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O/c25-21-12-11-20(17-22(21)26)27-13-15-28(16-14-27)24(29)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,23H,13-16H2.
What are the key properties of 1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone?
1-[4-(3,4-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-(3,4-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 113081358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).