1-(4-ethoxy-3-methoxyphenyl)piperazine

C13H20N2O2 — CID 70276444

IUPAC1-(4-ethoxy-3-methoxyphenyl)piperazine
SMILESCCOc1ccc(N2CCNCC2)cc1OC
InChIInChI=1S/C13H20N2O2/c1-3-17-12-5-4-11(10-13(12)16-2)15-8-6-14-7-9-15/h4-5,10,14H,3,6-9H2,1-2H3
InChIKeyWJENLJQEFCLIQP-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.50
Rot. Bonds4

About 1-(4-ethoxy-3-methoxyphenyl)piperazine

1-(4-ethoxy-3-methoxyphenyl)piperazine (PubChem CID 70276444) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(4-ethoxy-3-methoxyphenyl)piperazine
PubChem CID70276444
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(4-ethoxy-3-methoxyphenyl)piperazine
SMILESCCOc1ccc(N2CCNCC2)cc1OC
InChIInChI=1S/C13H20N2O2/c1-3-17-12-5-4-11(10-13(12)16-2)15-8-6-14-7-9-15/h4-5,10,14H,3,6-9H2,1-2H3
InChIKeyWJENLJQEFCLIQP-UHFFFAOYSA-N
XLogP1.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride
CID 22625407
ethane;1-(4-ethyl-3-methoxyphenyl)piperazine
CID 176935078
1-(4-chloro-3-methoxyphenyl)piperazine;propane
CID 145414306
1-(4-ethoxy-3-methylphenyl)-1,4-diazepane
CID 63214343
2-methoxy-4-piperazin-1-ylphenol
CID 24820540
ethane;1-(3-methoxy-4-methylphenyl)piperazine
CID 144693036
1-(8-ethoxynaphthalen-2-yl)piperazine
CID 22636200
4-(3,4-diethoxyphenyl)morpholine
CID 154477521
1-(3-ethoxyphenyl)piperazine
CID 14519634
2-methoxy-4-piperazin-1-ylbenzoic acid
CID 84699390
1-[4-(2-ethoxyethoxy)-3-methylphenyl]piperazine
CID 63214688
1-[(4-ethoxy-3-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3635199

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methoxyphenyl)piperazine?
The IUPAC name of 1-(4-ethoxy-3-methoxyphenyl)piperazine (CID 70276444) is 1-(4-ethoxy-3-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(4-ethoxy-3-methoxyphenyl)piperazine?
The canonical SMILES for 1-(4-ethoxy-3-methoxyphenyl)piperazine is CCOc1ccc(N2CCNCC2)cc1OC.
What is the InChIKey of 1-(4-ethoxy-3-methoxyphenyl)piperazine?
The InChIKey is WJENLJQEFCLIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-17-12-5-4-11(10-13(12)16-2)15-8-6-14-7-9-15/h4-5,10,14H,3,6-9H2,1-2H3.
What are the key properties of 1-(4-ethoxy-3-methoxyphenyl)piperazine?
1-(4-ethoxy-3-methoxyphenyl)piperazine has a molecular weight of 236.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methoxyphenyl)piperazine is sourced from PubChem (CID 70276444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).