1-[4-[4-[[2-(2-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-bromo-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-chloro-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-fluoro-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone

C92H104Br2ClF3I2N8O16 — CID 160971347

IUPAC1-[4-[4-[[2-(2-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-bromo-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-chloro-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-fluoro-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(OCC3COC(C)(c4ccc(F)cc4Br)O3)cc2)CC1.CC(=O)N1CCN(c2ccc(OCC3COC(C)(c4ccc(F)cc4Cl)O3)cc2)CC1.CC(=O)N1CCN(c2ccc(OCC3COC(C)(c4ccc(I)cc4Br)O3)cc2)CC1.CC(=O)N1CCN(c2ccc(OCC3COC(C)(c4ccc(I)cc4F)O3)cc2)CC1
InChIInChI=1S/C23H26BrFN2O4.C23H26BrIN2O4.C23H26ClFN2O4.C23H26FIN2O4/c4*1-16(28)26-9-11-27(12-10-26)18-4-6-19(7-5-18)29-14-20-15-30-23(2,31-20)21-8-3-17(25)13-22(21)24/h4*3-8,13,20H,9-12,14-15H2,1-2H3
InChIKeySYHGWAXMLNZXHM-UHFFFAOYSA-N
MW2083.95 g/mol
LogP15.89
Rot. Bonds20

About 1-[4-[4-[[2-(2-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-bromo-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-chloro-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-fluoro-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone

1-[4-[4-[[2-(2-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-bromo-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-chloro-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-fluoro-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone (PubChem CID 160971347) has the molecular formula C92H104Br2ClF3I2N8O16 and a molecular weight of 2083.95 g/mol. Its IUPAC name is 1-[4-[4-[[2-(2-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-bromo-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-chloro-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-fluoro-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[[2-(2-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-bromo-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-chloro-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-fluoro-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
PubChem CID160971347
Molecular FormulaC92H104Br2ClF3I2N8O16
Molecular Weight2083.95 g/mol
Exact Mass2080.37
IUPAC Name1-[4-[4-[[2-(2-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-bromo-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-chloro-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-fluoro-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(OCC3COC(C)(c4ccc(F)cc4Br)O3)cc2)CC1.CC(=O)N1CCN(c2ccc(OCC3COC(C)(c4ccc(F)cc4Cl)O3)cc2)CC1.CC(=O)N1CCN(c2ccc(OCC3COC(C)(c4ccc(I)cc4Br)O3)cc2)CC1.CC(=O)N1CCN(c2ccc(OCC3COC(C)(c4ccc(I)cc4F)O3)cc2)CC1
InChIInChI=1S/C23H26BrFN2O4.C23H26BrIN2O4.C23H26ClFN2O4.C23H26FIN2O4/c4*1-16(28)26-9-11-27(12-10-26)18-4-6-19(7-5-18)29-14-20-15-30-23(2,31-20)21-8-3-17(25)13-22(21)24/h4*3-8,13,20H,9-12,14-15H2,1-2H3
InChIKeySYHGWAXMLNZXHM-UHFFFAOYSA-N
XLogP15.89
TPSA204.96 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002083.95
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-[4-[4-[[2-(2-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-bromo-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-chloro-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-fluoro-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[4-[[(2S,4R)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
CID 14990305
1-[4-[4-[[2-(2-bromo-4-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-fluoro-4-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(4-hydroxy-2-nitrophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(4-hydroxy-2-sulfanylphenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
CID 161339904
(2R,4S)-4-[(4-bromophenoxy)methyl]-2-(2,4-difluorophenyl)-2-methyl-1,3-dioxolane
CID 58247453
1-[4-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
CID 92852067
[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]-(4-prop-2-enoxyphenyl)methanone;[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-prop-2-enoxyphenyl)methanone
CID 167692702
N-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]-3-phenylpropanamide
CID 156638368
(E)-1-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]-3-(3-prop-2-enoxyphenyl)prop-2-en-1-one
CID 165382563
1-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;dihydrochloride
CID 70539730
bis[[3-[[(2S,4R)-4-[[4-(4-acetylpiperazin-1-yl)phenoxy]methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]imidazol-1-ium-1-yl]methyl] propanedioate
CID 135273724
1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;2H-triazole
CID 66857792
1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1H-imidazole
CID 66692525
1-[4-[[(2R,4S)-2-(2-chloro-4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-propan-2-ylpiperazine;1-[4-[[(2R,4S)-2-(4-chloro-2-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-propan-2-ylpiperazine;1-[4-[[(2R,4S)-2-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-propan-2-ylpiperazine
CID 157114596

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[2-(2-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-bromo-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-chloro-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-fluoro-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[[2-(2-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-bromo-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-chloro-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-fluoro-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone (CID 160971347) is 1-[4-[4-[[2-(2-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-bromo-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-chloro-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-fluoro-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[[2-(2-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-bromo-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-chloro-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-fluoro-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[[2-(2-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-bromo-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-chloro-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-fluoro-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(OCC3COC(C)(c4ccc(F)cc4Br)O3)cc2)CC1.CC(=O)N1CCN(c2ccc(OCC3COC(C)(c4ccc(F)cc4Cl)O3)cc2)CC1.CC(=O)N1CCN(c2ccc(OCC3COC(C)(c4ccc(I)cc4Br)O3)cc2)CC1.CC(=O)N1CCN(c2ccc(OCC3COC(C)(c4ccc(I)cc4F)O3)cc2)CC1.
What is the InChIKey of 1-[4-[4-[[2-(2-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-bromo-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-chloro-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-fluoro-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone?
The InChIKey is SYHGWAXMLNZXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrFN2O4.C23H26BrIN2O4.C23H26ClFN2O4.C23H26FIN2O4/c4*1-16(28)26-9-11-27(12-10-26)18-4-6-19(7-5-18)29-14-20-15-30-23(2,31-20)21-8-3-17(25)13-22(21)24/h4*3-8,13,20H,9-12,14-15H2,1-2H3.
What are the key properties of 1-[4-[4-[[2-(2-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-bromo-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-chloro-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-fluoro-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone?
1-[4-[4-[[2-(2-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-bromo-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-chloro-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-fluoro-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone has a molecular weight of 2083.95 g/mol, XLogP of 15.89, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[2-(2-bromo-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-bromo-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-chloro-4-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[4-[[2-(2-fluoro-4-iodophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 160971347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).