1-[(2,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperazine

C21H28N2O4 — CID 5234749

IUPAC1-[(2,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(OC)c(C(c2ccc(OC)c(OC)c2)N2CCNCC2)c1
InChIInChI=1S/C21H28N2O4/c1-24-16-6-8-18(25-2)17(14-16)21(23-11-9-22-10-12-23)15-5-7-19(26-3)20(13-15)27-4/h5-8,13-14,21-22H,9-12H2,1-4H3
InChIKeyJDDCBPYYUCZSIZ-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.72
Rot. Bonds7

About 1-[(2,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperazine

1-[(2,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperazine (PubChem CID 5234749) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperazine
PubChem CID5234749
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1-[(2,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(OC)c(C(c2ccc(OC)c(OC)c2)N2CCNCC2)c1
InChIInChI=1S/C21H28N2O4/c1-24-16-6-8-18(25-2)17(14-16)21(23-11-9-22-10-12-23)15-5-7-19(26-3)20(13-15)27-4/h5-8,13-14,21-22H,9-12H2,1-4H3
InChIKeyJDDCBPYYUCZSIZ-UHFFFAOYSA-N
XLogP2.72
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
CID 3766847
1-[(4-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
CID 3758150
1-[(3,4-dichlorophenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3260597
1-[(4-bromophenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane
CID 4264818
1-[(2,4-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methyl]-1,4-diazepane
CID 3832426
1-[(4-ethoxy-3-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3635199
1-[(3-ethoxy-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3478154
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171274106
1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171286734
1-[(2,5-dimethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3778741
1-[(5-chloro-2-methoxyphenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3847028
1-[(3,4-dimethoxyphenyl)-pyridin-4-ylmethyl]piperazine
CID 3874213

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperazine (CID 5234749) is 1-[(2,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperazine is COc1ccc(OC)c(C(c2ccc(OC)c(OC)c2)N2CCNCC2)c1.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperazine?
The InChIKey is JDDCBPYYUCZSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-24-16-6-8-18(25-2)17(14-16)21(23-11-9-22-10-12-23)15-5-7-19(26-3)20(13-15)27-4/h5-8,13-14,21-22H,9-12H2,1-4H3.
What are the key properties of 1-[(2,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperazine?
1-[(2,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperazine has a molecular weight of 372.47 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 5234749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).