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

C19H22F2N2O2 — CID 3831284

IUPAC1-[(2,4-difluorophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine
SMILESCOc1cccc(C(c2ccc(F)cc2F)N2CCNCC2)c1OC
InChIInChI=1S/C19H22F2N2O2/c1-24-17-5-3-4-15(19(17)25-2)18(23-10-8-22-9-11-23)14-7-6-13(20)12-16(14)21/h3-7,12,18,22H,8-11H2,1-2H3
InChIKeyXJAMJJCQYYNMPA-UHFFFAOYSA-N
MW348.39 g/mol
LogP2.98
Rot. Bonds5

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

1-[(2,4-difluorophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine (PubChem CID 3831284) has the molecular formula C19H22F2N2O2 and a molecular weight of 348.39 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine
PubChem CID3831284
Molecular FormulaC19H22F2N2O2
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC Name1-[(2,4-difluorophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine
SMILESCOc1cccc(C(c2ccc(F)cc2F)N2CCNCC2)c1OC
InChIInChI=1S/C19H22F2N2O2/c1-24-17-5-3-4-15(19(17)25-2)18(23-10-8-22-9-11-23)14-7-6-13(20)12-16(14)21/h3-7,12,18,22H,8-11H2,1-2H3
InChIKeyXJAMJJCQYYNMPA-UHFFFAOYSA-N
XLogP2.98
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-difluorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 4306494
1-[(2,4-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methyl]-1,4-diazepane
CID 3737760
1-[(2,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3766292
1-[(5-bromo-2-methoxyphenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane
CID 5158278
1-[(2,3-dimethoxyphenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane
CID 5159429
1-[bis(2-methoxyphenyl)methyl]piperazine
CID 5183937
1-[(5-fluoro-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 4538369
1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine
CID 3834286
1-[(2,4-difluorophenyl)-(2-methylphenyl)methyl]-1,4-diazepane
CID 3761788
1-[(2,3-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
CID 3890926
1-[(2,3-dimethoxyphenyl)-thiophen-3-ylmethyl]piperazine
CID 3765219
1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperazine
CID 3922190

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(2,4-difluorophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine (CID 3831284) is 1-[(2,4-difluorophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2,4-difluorophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine is COc1cccc(C(c2ccc(F)cc2F)N2CCNCC2)c1OC.
What is the InChIKey of 1-[(2,4-difluorophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine?
The InChIKey is XJAMJJCQYYNMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2/c1-24-17-5-3-4-15(19(17)25-2)18(23-10-8-22-9-11-23)14-7-6-13(20)12-16(14)21/h3-7,12,18,22H,8-11H2,1-2H3.
What are the key properties of 1-[(2,4-difluorophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine?
1-[(2,4-difluorophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine has a molecular weight of 348.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3831284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).