1-[(2,4-difluorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine

C20H24F2N2O3 — CID 4306494

IUPAC1-[(2,4-difluorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(C(c2ccc(F)cc2F)N2CCNCC2)c(OC)c1OC
InChIInChI=1S/C20H24F2N2O3/c1-25-17-7-6-15(19(26-2)20(17)27-3)18(24-10-8-23-9-11-24)14-5-4-13(21)12-16(14)22/h4-7,12,18,23H,8-11H2,1-3H3
InChIKeyVMUUJNGRJZTRBS-UHFFFAOYSA-N
MW378.42 g/mol
LogP2.99
Rot. Bonds6

About 1-[(2,4-difluorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine

1-[(2,4-difluorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine (PubChem CID 4306494) has the molecular formula C20H24F2N2O3 and a molecular weight of 378.42 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine
PubChem CID4306494
Molecular FormulaC20H24F2N2O3
Molecular Weight378.42 g/mol
Exact Mass378.18
IUPAC Name1-[(2,4-difluorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(C(c2ccc(F)cc2F)N2CCNCC2)c(OC)c1OC
InChIInChI=1S/C20H24F2N2O3/c1-25-17-7-6-15(19(26-2)20(17)27-3)18(24-10-8-23-9-11-24)14-5-4-13(21)12-16(14)22/h4-7,12,18,23H,8-11H2,1-3H3
InChIKeyVMUUJNGRJZTRBS-UHFFFAOYSA-N
XLogP2.99
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,4-difluorophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine
CID 3831284
1-[(2,4-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methyl]-1,4-diazepane
CID 3737760
1-[(5-fluoro-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 4538369
1-[(4-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 3914218
1-[[4-(trifluoromethyl)phenyl]-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 3897309
1-[phenyl-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3762656
1-[(2,4-difluorophenyl)-(4-methylphenyl)methyl]piperazine
CID 5211838
1-[(5-chlorothiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 4693826
1-[(1R)-1-(4-fluoro-2-methoxyphenyl)propyl]piperazine
CID 171170122
1-[(1S)-1-(4-fluoro-2-methoxyphenyl)propyl]piperazine
CID 171164771
1-[(3,5-dimethylphenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 4202298
1-[(3,4-dichlorophenyl)-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3814985

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(2,4-difluorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine (CID 4306494) is 1-[(2,4-difluorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2,4-difluorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine is COc1ccc(C(c2ccc(F)cc2F)N2CCNCC2)c(OC)c1OC.
What is the InChIKey of 1-[(2,4-difluorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine?
The InChIKey is VMUUJNGRJZTRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O3/c1-25-17-7-6-15(19(26-2)20(17)27-3)18(24-10-8-23-9-11-24)14-5-4-13(21)12-16(14)22/h4-7,12,18,23H,8-11H2,1-3H3.
What are the key properties of 1-[(2,4-difluorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine?
1-[(2,4-difluorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine has a molecular weight of 378.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 4306494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).