1-(2-ethoxyphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine

C21H28N2O2 — CID 134147929

IUPAC1-(2-ethoxyphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine
SMILESCCOc1ccccc1N1CCN(CCc2cccc(OC)c2)CC1
InChIInChI=1S/C21H28N2O2/c1-3-25-21-10-5-4-9-20(21)23-15-13-22(14-16-23)12-11-18-7-6-8-19(17-18)24-2/h4-10,17H,3,11-16H2,1-2H3
InChIKeyMLGVJRUWZGCRQT-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.46
Rot. Bonds7

About 1-(2-ethoxyphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine

1-(2-ethoxyphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine (PubChem CID 134147929) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine
PubChem CID134147929
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-(2-ethoxyphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine
SMILESCCOc1ccccc1N1CCN(CCc2cccc(OC)c2)CC1
InChIInChI=1S/C21H28N2O2/c1-3-25-21-10-5-4-9-20(21)23-15-13-22(14-16-23)12-11-18-7-6-8-19(17-18)24-2/h4-10,17H,3,11-16H2,1-2H3
InChIKeyMLGVJRUWZGCRQT-UHFFFAOYSA-N
XLogP3.46
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine?
The IUPAC name of 1-(2-ethoxyphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine (CID 134147929) is 1-(2-ethoxyphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine is CCOc1ccccc1N1CCN(CCc2cccc(OC)c2)CC1.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine?
The InChIKey is MLGVJRUWZGCRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-3-25-21-10-5-4-9-20(21)23-15-13-22(14-16-23)12-11-18-7-6-8-19(17-18)24-2/h4-10,17H,3,11-16H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine?
1-(2-ethoxyphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine has a molecular weight of 340.47 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 134147929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).