1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine

C22H30N2O3 — CID 141313696

IUPAC1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine
SMILESCCOc1ccc(CN2CCN(CCOc3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C22H30N2O3/c1-3-26-21-6-4-19(5-7-21)18-24-14-12-23(13-15-24)16-17-27-22-10-8-20(25-2)9-11-22/h4-11H,3,12-18H2,1-2H3
InChIKeyUYEIJIFRPYLYIH-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.29
Rot. Bonds9

About 1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine

1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine (PubChem CID 141313696) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine
PubChem CID141313696
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine
SMILESCCOc1ccc(CN2CCN(CCOc3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C22H30N2O3/c1-3-26-21-6-4-19(5-7-21)18-24-14-12-23(13-15-24)16-17-27-22-10-8-20(25-2)9-11-22/h4-11H,3,12-18H2,1-2H3
InChIKeyUYEIJIFRPYLYIH-UHFFFAOYSA-N
XLogP3.29
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzonitrile
CID 9398842
4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzamide
CID 30737845
4-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34933504
1-[2-(4-methoxyphenoxy)ethyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine
CID 30746046
1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 2168286
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871
(4-ethoxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571371
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-(4-methoxyphenoxy)propan-2-ol
CID 55466655
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol
CID 110888313

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine (CID 141313696) is 1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine is CCOc1ccc(CN2CCN(CCOc3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine?
The InChIKey is UYEIJIFRPYLYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-3-26-21-6-4-19(5-7-21)18-24-14-12-23(13-15-24)16-17-27-22-10-8-20(25-2)9-11-22/h4-11H,3,12-18H2,1-2H3.
What are the key properties of 1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine?
1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine has a molecular weight of 370.49 g/mol, XLogP of 3.29, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine is sourced from PubChem (CID 141313696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).