1-[2-[2-(4-chlorophenoxy)ethoxy]ethyl]-4-methylpiperazine-1,4-diium

C15H25ClN2O2+2 — CID 2270055

IUPAC1-[2-[2-(4-chlorophenoxy)ethoxy]ethyl]-4-methylpiperazine-1,4-diium
SMILESC[NH+]1CC[NH+](CCOCCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H23ClN2O2/c1-17-6-8-18(9-7-17)10-11-19-12-13-20-15-4-2-14(16)3-5-15/h2-5H,6-13H2,1H3/p+2
InChIKeyDEYQLXLMRIWFAE-UHFFFAOYSA-P
MW300.83 g/mol
LogP-0.85
Rot. Bonds7

About 1-[2-[2-(4-chlorophenoxy)ethoxy]ethyl]-4-methylpiperazine-1,4-diium

1-[2-[2-(4-chlorophenoxy)ethoxy]ethyl]-4-methylpiperazine-1,4-diium (PubChem CID 2270055) has the molecular formula C15H25ClN2O2+2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-[2-[2-(4-chlorophenoxy)ethoxy]ethyl]-4-methylpiperazine-1,4-diium.

Molecular Properties

Compound Name1-[2-[2-(4-chlorophenoxy)ethoxy]ethyl]-4-methylpiperazine-1,4-diium
PubChem CID2270055
Molecular FormulaC15H25ClN2O2+2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name1-[2-[2-(4-chlorophenoxy)ethoxy]ethyl]-4-methylpiperazine-1,4-diium
SMILESC[NH+]1CC[NH+](CCOCCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H23ClN2O2/c1-17-6-8-18(9-7-17)10-11-19-12-13-20-15-4-2-14(16)3-5-15/h2-5H,6-13H2,1H3/p+2
InChIKeyDEYQLXLMRIWFAE-UHFFFAOYSA-P
XLogP-0.85
TPSA27.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-[2-(4-chlorophenoxy)ethoxy]ethyl]-4-methylpiperazine-1,4-diium 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-[2-(4-chlorophenoxy)ethoxy]ethyl]piperidin-1-ium
CID 2059414
1-methyl-4-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]piperazine-1,4-diium
CID 2269834
1-[2-[2-(3-bromophenoxy)ethoxy]ethyl]-4-methylpiperazine-1,4-diium
CID 2581089
1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine-1,4-diium
CID 2269433
4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholin-4-ium
CID 2298140
1-[4-(3,4-dichlorophenoxy)butyl]-4-methylpiperazine-1,4-diium
CID 2580968
1-methyl-4-[2-[2-(3-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]piperazine-1,4-diium
CID 2296803
[2-[2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]ethoxy]phenyl]methanol
CID 7380493
2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-chlorophenyl)acetamide
CID 9260208
2-[2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]ethoxy]benzonitrile
CID 7380430
2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)acetamide
CID 9260155
1-[4-(4-chlorophenoxy)butyl]piperazine-1,4-diium
CID 2194944

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-chlorophenoxy)ethoxy]ethyl]-4-methylpiperazine-1,4-diium?
The IUPAC name of 1-[2-[2-(4-chlorophenoxy)ethoxy]ethyl]-4-methylpiperazine-1,4-diium (CID 2270055) is 1-[2-[2-(4-chlorophenoxy)ethoxy]ethyl]-4-methylpiperazine-1,4-diium.
What is the SMILES notation for 1-[2-[2-(4-chlorophenoxy)ethoxy]ethyl]-4-methylpiperazine-1,4-diium?
The canonical SMILES for 1-[2-[2-(4-chlorophenoxy)ethoxy]ethyl]-4-methylpiperazine-1,4-diium is C[NH+]1CC[NH+](CCOCCOc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[2-[2-(4-chlorophenoxy)ethoxy]ethyl]-4-methylpiperazine-1,4-diium?
The InChIKey is DEYQLXLMRIWFAE-UHFFFAOYSA-P. The full InChI is InChI=1S/C15H23ClN2O2/c1-17-6-8-18(9-7-17)10-11-19-12-13-20-15-4-2-14(16)3-5-15/h2-5H,6-13H2,1H3/p+2.
What are the key properties of 1-[2-[2-(4-chlorophenoxy)ethoxy]ethyl]-4-methylpiperazine-1,4-diium?
1-[2-[2-(4-chlorophenoxy)ethoxy]ethyl]-4-methylpiperazine-1,4-diium has a molecular weight of 300.83 g/mol, XLogP of -0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-chlorophenoxy)ethoxy]ethyl]-4-methylpiperazine-1,4-diium is sourced from PubChem (CID 2270055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).