1-[3-[2-(2,4-difluorophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]-4-phenylpiperazine

C22H26F2N2O2 — CID 54096102

IUPAC1-[3-[2-(2,4-difluorophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]-4-phenylpiperazine
SMILESCC1OC(CCCN2CCN(c3ccccc3)CC2)(c2ccc(F)cc2F)O1
InChIInChI=1S/C22H26F2N2O2/c1-17-27-22(28-17,20-9-8-18(23)16-21(20)24)10-5-11-25-12-14-26(15-13-25)19-6-3-2-4-7-19/h2-4,6-9,16-17H,5,10-15H2,1H3
InChIKeyMXFDDOLFCJXBRZ-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.11
Rot. Bonds6

About 1-[3-[2-(2,4-difluorophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]-4-phenylpiperazine

1-[3-[2-(2,4-difluorophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]-4-phenylpiperazine (PubChem CID 54096102) has the molecular formula C22H26F2N2O2 and a molecular weight of 388.46 g/mol. Its IUPAC name is 1-[3-[2-(2,4-difluorophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[3-[2-(2,4-difluorophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]-4-phenylpiperazine
PubChem CID54096102
Molecular FormulaC22H26F2N2O2
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name1-[3-[2-(2,4-difluorophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]-4-phenylpiperazine
SMILESCC1OC(CCCN2CCN(c3ccccc3)CC2)(c2ccc(F)cc2F)O1
InChIInChI=1S/C22H26F2N2O2/c1-17-27-22(28-17,20-9-8-18(23)16-21(20)24)10-5-11-25-12-14-26(15-13-25)19-6-3-2-4-7-19/h2-4,6-9,16-17H,5,10-15H2,1H3
InChIKeyMXFDDOLFCJXBRZ-UHFFFAOYSA-N
XLogP4.11
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[2-(4-fluorophenyl)-1,3-benzodioxol-2-yl]propyl]-4-phenylpiperazine
CID 154133868
8-[3-[2-(2,4-difluorophenyl)-1,3-dioxolan-2-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10072817
4-(2,4-difluorophenyl)-1-phenylpiperidin-4-ol
CID 106820950
(2R,3R)-5-fluoro-2-methyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydro-1H-indole;hydrochloride
CID 12746867
8-[3-[2-(4-fluoro-2-methylphenyl)-1,3-dioxolan-2-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 20560268
1-(4-fluorophenyl)-4-[3-[4-(4-fluorophenyl)-1,3-dihydroisochromen-4-yl]propyl]piperazine;dihydrochloride
CID 19028870
5-methyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1,2-oxazole
CID 142390486
ethane;5-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole
CID 177319242
2-bromo-4-fluoro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 60530910
5,5-dimethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-oxazolidine-2,4-dione
CID 86293406
1-[3-(6,7-dimethoxy-1-methyl-3,4-dihydroisochromen-1-yl)propyl]-4-phenylpiperazine
CID 13015827
(2S,6S)-2,6-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-4-sulfonamide
CID 51725042

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2,4-difluorophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]-4-phenylpiperazine?
The IUPAC name of 1-[3-[2-(2,4-difluorophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]-4-phenylpiperazine (CID 54096102) is 1-[3-[2-(2,4-difluorophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[3-[2-(2,4-difluorophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]-4-phenylpiperazine?
The canonical SMILES for 1-[3-[2-(2,4-difluorophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]-4-phenylpiperazine is CC1OC(CCCN2CCN(c3ccccc3)CC2)(c2ccc(F)cc2F)O1.
What is the InChIKey of 1-[3-[2-(2,4-difluorophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]-4-phenylpiperazine?
The InChIKey is MXFDDOLFCJXBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O2/c1-17-27-22(28-17,20-9-8-18(23)16-21(20)24)10-5-11-25-12-14-26(15-13-25)19-6-3-2-4-7-19/h2-4,6-9,16-17H,5,10-15H2,1H3.
What are the key properties of 1-[3-[2-(2,4-difluorophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]-4-phenylpiperazine?
1-[3-[2-(2,4-difluorophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]-4-phenylpiperazine has a molecular weight of 388.46 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2,4-difluorophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]-4-phenylpiperazine is sourced from PubChem (CID 54096102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).