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

C26H30N2O3 — CID 3321312

IUPAC1-[(2,4-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(C(c2ccc(OCc3ccccc3)cc2)N2CCNCC2)c(OC)c1
InChIInChI=1S/C26H30N2O3/c1-29-23-12-13-24(25(18-23)30-2)26(28-16-14-27-15-17-28)21-8-10-22(11-9-21)31-19-20-6-4-3-5-7-20/h3-13,18,26-27H,14-17,19H2,1-2H3
InChIKeyHYWODSJPDGPUQF-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.28
Rot. Bonds8

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

1-[(2,4-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine (PubChem CID 3321312) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
PubChem CID3321312
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name1-[(2,4-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(C(c2ccc(OCc3ccccc3)cc2)N2CCNCC2)c(OC)c1
InChIInChI=1S/C26H30N2O3/c1-29-23-12-13-24(25(18-23)30-2)26(28-16-14-27-15-17-28)21-8-10-22(11-9-21)31-19-20-6-4-3-5-7-20/h3-13,18,26-27H,14-17,19H2,1-2H3
InChIKeyHYWODSJPDGPUQF-UHFFFAOYSA-N
XLogP4.28
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3704373
1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3763712
1-[(3-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
CID 3625591
1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3779919
1-[(2,4-difluorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3766274
1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 4594062
1-[(R)-(2,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171287396
1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3765974
1-[(2,4-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methyl]-1,4-diazepane
CID 3832426
1-[(4-fluorophenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
CID 3558640
1-[(2,4-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]-1,4-diazepane
CID 3326663
1-[furan-2-yl-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3763713

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine (CID 3321312) is 1-[(2,4-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine is COc1ccc(C(c2ccc(OCc3ccccc3)cc2)N2CCNCC2)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine?
The InChIKey is HYWODSJPDGPUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-29-23-12-13-24(25(18-23)30-2)26(28-16-14-27-15-17-28)21-8-10-22(11-9-21)31-19-20-6-4-3-5-7-20/h3-13,18,26-27H,14-17,19H2,1-2H3.
What are the key properties of 1-[(2,4-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine?
1-[(2,4-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine has a molecular weight of 418.54 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3321312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).