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

C24H24F2N2O — CID 3766274

IUPAC1-[(2,4-difluorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
SMILESFc1ccc(C(c2ccc(OCc3ccccc3)cc2)N2CCNCC2)c(F)c1
InChIInChI=1S/C24H24F2N2O/c25-20-8-11-22(23(26)16-20)24(28-14-12-27-13-15-28)19-6-9-21(10-7-19)29-17-18-4-2-1-3-5-18/h1-11,16,24,27H,12-15,17H2
InChIKeyZHQPNIYDTKBSBE-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.54
Rot. Bonds6

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

1-[(2,4-difluorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine (PubChem CID 3766274) has the molecular formula C24H24F2N2O and a molecular weight of 394.47 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
PubChem CID3766274
Molecular FormulaC24H24F2N2O
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name1-[(2,4-difluorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
SMILESFc1ccc(C(c2ccc(OCc3ccccc3)cc2)N2CCNCC2)c(F)c1
InChIInChI=1S/C24H24F2N2O/c25-20-8-11-22(23(26)16-20)24(28-14-12-27-13-15-28)19-6-9-21(10-7-19)29-17-18-4-2-1-3-5-18/h1-11,16,24,27H,12-15,17H2
InChIKeyZHQPNIYDTKBSBE-UHFFFAOYSA-N
XLogP4.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3779919
1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperazine
CID 4209262
1-[(4-fluorophenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
CID 3558640
1-[(2,4-difluorophenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3835706
1-[(2,4-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3321312
1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3763712
1-[(2-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3704373
1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3765974
1-[(2,4-difluorophenyl)-(4-methylphenyl)methyl]piperazine
CID 5211838
1-[(2,4-difluorophenyl)-(3-ethoxyphenyl)methyl]piperazine
CID 3970423
1-[furan-2-yl-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3763713
(2R)-2-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183535

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(2,4-difluorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine (CID 3766274) is 1-[(2,4-difluorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2,4-difluorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine is Fc1ccc(C(c2ccc(OCc3ccccc3)cc2)N2CCNCC2)c(F)c1.
What is the InChIKey of 1-[(2,4-difluorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine?
The InChIKey is ZHQPNIYDTKBSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O/c25-20-8-11-22(23(26)16-20)24(28-14-12-27-13-15-28)19-6-9-21(10-7-19)29-17-18-4-2-1-3-5-18/h1-11,16,24,27H,12-15,17H2.
What are the key properties of 1-[(2,4-difluorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine?
1-[(2,4-difluorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine has a molecular weight of 394.47 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3766274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).