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

C21H28N2O3 — CID 3922190

IUPAC1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperazine
SMILESCCOc1cccc(C(c2cccc(OC)c2OC)N2CCNCC2)c1
InChIInChI=1S/C21H28N2O3/c1-4-26-17-8-5-7-16(15-17)20(23-13-11-22-12-14-23)18-9-6-10-19(24-2)21(18)25-3/h5-10,15,20,22H,4,11-14H2,1-3H3
InChIKeyCYIHXNMJUOGDMG-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.10
Rot. Bonds7

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

1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperazine (PubChem CID 3922190) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperazine
PubChem CID3922190
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperazine
SMILESCCOc1cccc(C(c2cccc(OC)c2OC)N2CCNCC2)c1
InChIInChI=1S/C21H28N2O3/c1-4-26-17-8-5-7-16(15-17)20(23-13-11-22-12-14-23)18-9-6-10-19(24-2)21(18)25-3/h5-10,15,20,22H,4,11-14H2,1-3H3
InChIKeyCYIHXNMJUOGDMG-UHFFFAOYSA-N
XLogP3.10
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,3-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methyl]-1,4-diazepane
CID 3663774
1-[(3-ethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
CID 3289491
1-[(2,4-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]-1,4-diazepane
CID 3326663
1-[(2,4-difluorophenyl)-(3-ethoxyphenyl)methyl]piperazine
CID 3970423
1-[(3-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
CID 3625591
1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine
CID 3834286
1-[(4-ethoxy-3-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3635199
1-[(3-ethoxy-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3478154
1-[(3-ethoxyphenyl)-(4-fluorophenyl)methyl]-1,4-diazepane
CID 4308636
1-[(3-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4320420
1-[(3,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperazine
CID 4037248
1-[(2,3-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
CID 3890926

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperazine (CID 3922190) is 1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperazine is CCOc1cccc(C(c2cccc(OC)c2OC)N2CCNCC2)c1.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperazine?
The InChIKey is CYIHXNMJUOGDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-4-26-17-8-5-7-16(15-17)20(23-13-11-22-12-14-23)18-9-6-10-19(24-2)21(18)25-3/h5-10,15,20,22H,4,11-14H2,1-3H3.
What are the key properties of 1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperazine?
1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperazine has a molecular weight of 356.47 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3922190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).