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

C26H30N2O3 — CID 3890926

IUPAC1-[(2,3-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
SMILESCOc1cccc(C(c2ccccc2OCc2ccccc2)N2CCNCC2)c1OC
InChIInChI=1S/C26H30N2O3/c1-29-24-14-8-12-22(26(24)30-2)25(28-17-15-27-16-18-28)21-11-6-7-13-23(21)31-19-20-9-4-3-5-10-20/h3-14,25,27H,15-19H2,1-2H3
InChIKeyIZVYBGYFUHPQDT-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.28
Rot. Bonds8

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

1-[(2,3-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine (PubChem CID 3890926) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
PubChem CID3890926
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name1-[(2,3-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
SMILESCOc1cccc(C(c2ccccc2OCc2ccccc2)N2CCNCC2)c1OC
InChIInChI=1S/C26H30N2O3/c1-29-24-14-8-12-22(26(24)30-2)25(28-17-15-27-16-18-28)21-11-6-7-13-23(21)31-19-20-9-4-3-5-10-20/h3-14,25,27H,15-19H2,1-2H3
InChIKeyIZVYBGYFUHPQDT-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-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 4594062
1-[(3-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
CID 3625591
1-[bis(2-methoxyphenyl)methyl]piperazine
CID 5183937
1-[(4-fluorophenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
CID 3558640
1-[(2-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3704373
1-[(2,6-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 3314443
1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperazine
CID 3922190
1-[(2,3-dimethoxyphenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane
CID 5159429
1-[(2-phenylmethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3736042
4-[1,4-diazepan-1-yl-(2,3-dimethoxyphenyl)methyl]quinoline
CID 3750378
1-[(2,3-dimethoxyphenyl)-thiophen-3-ylmethyl]piperazine
CID 3765219
1-[(2,4-difluorophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine
CID 3831284

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine (CID 3890926) is 1-[(2,3-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine is COc1cccc(C(c2ccccc2OCc2ccccc2)N2CCNCC2)c1OC.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine?
The InChIKey is IZVYBGYFUHPQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-29-24-14-8-12-22(26(24)30-2)25(28-17-15-27-16-18-28)21-11-6-7-13-23(21)31-19-20-9-4-3-5-10-20/h3-14,25,27H,15-19H2,1-2H3.
What are the key properties of 1-[(2,3-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine?
1-[(2,3-dimethoxyphenyl)-(2-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-[(2,3-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3890926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).