1-[(4-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine

C21H28N2O4 — CID 3914218

IUPAC1-[(4-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(C(c2ccc(OC)c(OC)c2OC)N2CCNCC2)cc1
InChIInChI=1S/C21H28N2O4/c1-24-16-7-5-15(6-8-16)19(23-13-11-22-12-14-23)17-9-10-18(25-2)21(27-4)20(17)26-3/h5-10,19,22H,11-14H2,1-4H3
InChIKeyRGHQESJQSLPUOX-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.72
Rot. Bonds7

About 1-[(4-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine

1-[(4-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine (PubChem CID 3914218) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine
PubChem CID3914218
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1-[(4-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(C(c2ccc(OC)c(OC)c2OC)N2CCNCC2)cc1
InChIInChI=1S/C21H28N2O4/c1-24-16-7-5-15(6-8-16)19(23-13-11-22-12-14-23)17-9-10-18(25-2)21(27-4)20(17)26-3/h5-10,19,22H,11-14H2,1-4H3
InChIKeyRGHQESJQSLPUOX-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-[[4-(trifluoromethyl)phenyl]-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 3897309
1-[phenyl-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3762656
1-[naphthalen-2-yl-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane
CID 4296709
1-[(3,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
CID 3766847
1-[(3,4-dichlorophenyl)-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3814985
1-[(4-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3524719
1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine
CID 3834286
1-[(4-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
CID 3758150
1-[(2,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperazine
CID 5234749
1-[(2,4-difluorophenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 4306494
1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine
CID 7047760
1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine
CID 3987731

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine (CID 3914218) is 1-[(4-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine is COc1ccc(C(c2ccc(OC)c(OC)c2OC)N2CCNCC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine?
The InChIKey is RGHQESJQSLPUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-24-16-7-5-15(6-8-16)19(23-13-11-22-12-14-23)17-9-10-18(25-2)21(27-4)20(17)26-3/h5-10,19,22H,11-14H2,1-4H3.
What are the key properties of 1-[(4-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine?
1-[(4-methoxyphenyl)-(2,3,4-trimethoxyphenyl)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-[(4-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3914218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).