1-[2-(4-methoxyphenoxy)ethyl]-4-(4-methoxyphenyl)sulfanylpiperazine

C20H26N2O3S — CID 145385091

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-4-(4-methoxyphenyl)sulfanylpiperazine
SMILESCOc1ccc(OCCN2CCN(Sc3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C20H26N2O3S/c1-23-17-3-5-19(6-4-17)25-16-15-21-11-13-22(14-12-21)26-20-9-7-18(24-2)8-10-20/h3-10H,11-16H2,1-2H3
InChIKeyCKQHTVZFRAVRKN-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.41
Rot. Bonds8

About 1-[2-(4-methoxyphenoxy)ethyl]-4-(4-methoxyphenyl)sulfanylpiperazine

1-[2-(4-methoxyphenoxy)ethyl]-4-(4-methoxyphenyl)sulfanylpiperazine (PubChem CID 145385091) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-4-(4-methoxyphenyl)sulfanylpiperazine.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-4-(4-methoxyphenyl)sulfanylpiperazine
PubChem CID145385091
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-4-(4-methoxyphenyl)sulfanylpiperazine
SMILESCOc1ccc(OCCN2CCN(Sc3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C20H26N2O3S/c1-23-17-3-5-19(6-4-17)25-16-15-21-11-13-22(14-12-21)26-20-9-7-18(24-2)8-10-20/h3-10H,11-16H2,1-2H3
InChIKeyCKQHTVZFRAVRKN-UHFFFAOYSA-N
XLogP3.41
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[2-(4-methoxyphenoxy)ethyl]-4-(4-methoxyphenyl)sulfanylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine
CID 47010456
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 27846514
1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 141313696
4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzonitrile
CID 9398842
1-(2-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 45006688
[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]methanol
CID 60768510
[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidin-4-yl]methanamine
CID 107160736
2-fluoro-6-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]benzonitrile
CID 9025171
1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-methylbutan-1-one
CID 113074770
4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonylbenzonitrile
CID 26667752
(4-ethoxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571371

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-4-(4-methoxyphenyl)sulfanylpiperazine?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-4-(4-methoxyphenyl)sulfanylpiperazine (CID 145385091) is 1-[2-(4-methoxyphenoxy)ethyl]-4-(4-methoxyphenyl)sulfanylpiperazine.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-4-(4-methoxyphenyl)sulfanylpiperazine?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-4-(4-methoxyphenyl)sulfanylpiperazine is COc1ccc(OCCN2CCN(Sc3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-4-(4-methoxyphenyl)sulfanylpiperazine?
The InChIKey is CKQHTVZFRAVRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-23-17-3-5-19(6-4-17)25-16-15-21-11-13-22(14-12-21)26-20-9-7-18(24-2)8-10-20/h3-10H,11-16H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-4-(4-methoxyphenyl)sulfanylpiperazine?
1-[2-(4-methoxyphenoxy)ethyl]-4-(4-methoxyphenyl)sulfanylpiperazine has a molecular weight of 374.51 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-4-(4-methoxyphenyl)sulfanylpiperazine is sourced from PubChem (CID 145385091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).