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

C20H26N2O3 — CID 3766847

IUPAC1-[(3,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc(C(c2ccc(OC)c(OC)c2)N2CCNCC2)cc1
InChIInChI=1S/C20H26N2O3/c1-23-17-7-4-15(5-8-17)20(22-12-10-21-11-13-22)16-6-9-18(24-2)19(14-16)25-3/h4-9,14,20-21H,10-13H2,1-3H3
InChIKeyRPVADURIQQSOON-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.71
Rot. Bonds6

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

1-[(3,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine (PubChem CID 3766847) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
PubChem CID3766847
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[(3,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc(C(c2ccc(OC)c(OC)c2)N2CCNCC2)cc1
InChIInChI=1S/C20H26N2O3/c1-23-17-7-4-15(5-8-17)20(22-12-10-21-11-13-22)16-6-9-18(24-2)19(14-16)25-3/h4-9,14,20-21H,10-13H2,1-3H3
InChIKeyRPVADURIQQSOON-UHFFFAOYSA-N
XLogP2.71
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperazine
CID 5234749
1-[(3,4-dimethoxyphenyl)-pyridin-4-ylmethyl]piperazine
CID 3874213
1-[(3,4-dimethoxyphenyl)-(4-methylphenyl)methyl]-1,4-diazepane
CID 3812216
1-[(3,4-dimethoxyphenyl)-phenylmethyl]-1,4-diazepane
CID 3614398
1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine
CID 3987731
1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine
CID 7047760
1-[(4-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 3914218
1-[(3-ethoxy-4-methoxyphenyl)-phenylmethyl]piperazine
CID 3967405
1-[(3,4-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methyl]-1,4-diazepane
CID 3826604
1-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]-1,4-diazepane
CID 3719968
1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine
CID 28798624
1-[(S)-(3-ethoxy-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171280909

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine (CID 3766847) is 1-[(3,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine is COc1ccc(C(c2ccc(OC)c(OC)c2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine?
The InChIKey is RPVADURIQQSOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-23-17-7-4-15(5-8-17)20(22-12-10-21-11-13-22)16-6-9-18(24-2)19(14-16)25-3/h4-9,14,20-21H,10-13H2,1-3H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine?
1-[(3,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine has a molecular weight of 342.44 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3766847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).