1-[(3-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine

C25H28N2O2 — CID 3625591

IUPAC1-[(3-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
SMILESCOc1cccc(C(c2ccccc2OCc2ccccc2)N2CCNCC2)c1
InChIInChI=1S/C25H28N2O2/c1-28-22-11-7-10-21(18-22)25(27-16-14-26-15-17-27)23-12-5-6-13-24(23)29-19-20-8-3-2-4-9-20/h2-13,18,25-26H,14-17,19H2,1H3
InChIKeyWDWXLVYAWBEZBE-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.27
Rot. Bonds7

About 1-[(3-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine

1-[(3-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine (PubChem CID 3625591) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
PubChem CID3625591
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name1-[(3-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
SMILESCOc1cccc(C(c2ccccc2OCc2ccccc2)N2CCNCC2)c1
InChIInChI=1S/C25H28N2O2/c1-28-22-11-7-10-21(18-22)25(27-16-14-26-15-17-27)23-12-5-6-13-24(23)29-19-20-8-3-2-4-9-20/h2-13,18,25-26H,14-17,19H2,1H3
InChIKeyWDWXLVYAWBEZBE-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-[(2,3-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
CID 3890926
1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 4594062
1-[(2,4-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3321312
1-[(4-fluorophenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
CID 3558640
1-[(2-methylphenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3504190
1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperazine
CID 4209262
1-[(2-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3704373
1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperazine
CID 3922190
1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3763712
1-[(3-ethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
CID 3289491
1-[(2-phenylmethoxyphenyl)-(4-phenylphenyl)methyl]-1,4-diazepane
CID 3556339
1-[(3-methoxyphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane
CID 3842624

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(3-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine (CID 3625591) is 1-[(3-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(3-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine is COc1cccc(C(c2ccccc2OCc2ccccc2)N2CCNCC2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine?
The InChIKey is WDWXLVYAWBEZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-28-22-11-7-10-21(18-22)25(27-16-14-26-15-17-27)23-12-5-6-13-24(23)29-19-20-8-3-2-4-9-20/h2-13,18,25-26H,14-17,19H2,1H3.
What are the key properties of 1-[(3-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine?
1-[(3-methoxyphenyl)-(2-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-[(3-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3625591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).