1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine

C25H28N2O2 — CID 3763712

IUPAC1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(C(c2ccc(OCc3ccccc3)cc2)N2CCNCC2)cc1
InChIInChI=1S/C25H28N2O2/c1-28-23-11-7-21(8-12-23)25(27-17-15-26-16-18-27)22-9-13-24(14-10-22)29-19-20-5-3-2-4-6-20/h2-14,25-26H,15-19H2,1H3
InChIKeyJYSGUOMFIBKBNL-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.27
Rot. Bonds7

About 1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine

1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine (PubChem CID 3763712) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
PubChem CID3763712
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(C(c2ccc(OCc3ccccc3)cc2)N2CCNCC2)cc1
InChIInChI=1S/C25H28N2O2/c1-28-23-11-7-21(8-12-23)25(27-17-15-26-16-18-27)22-9-13-24(14-10-22)29-19-20-5-3-2-4-6-20/h2-14,25-26H,15-19H2,1H3
InChIKeyJYSGUOMFIBKBNL-UHFFFAOYSA-N
XLogP4.27
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3321312
1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine
CID 7047760
1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3765974
1-[(2-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3704373
1-[furan-2-yl-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3763713
1-[(4-methoxyphenyl)-phenylmethyl]-1,4-diazepane
CID 3838263
1-[(1S)-1-(4-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171281105
1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperazine
CID 4209262
1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3779919
1-[(2,4-difluorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3766274
1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine
CID 3987731
1-[(3-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
CID 3625591

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine (CID 3763712) is 1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine is COc1ccc(C(c2ccc(OCc3ccccc3)cc2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine?
The InChIKey is JYSGUOMFIBKBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-28-23-11-7-21(8-12-23)25(27-17-15-26-16-18-27)22-9-13-24(14-10-22)29-19-20-5-3-2-4-6-20/h2-14,25-26H,15-19H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine?
1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine has a molecular weight of 388.51 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3763712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).