1-[2-[2-(2,6-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine

C15H22Cl2N2O2 — CID 30075930

IUPAC1-[2-[2-(2,6-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine
SMILESCN1CCN(CCOCCOc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C15H22Cl2N2O2/c1-18-5-7-19(8-6-18)9-10-20-11-12-21-15-13(16)3-2-4-14(15)17/h2-4H,5-12H2,1H3
InChIKeyYBXOWEGMXKQPAP-UHFFFAOYSA-N
MW333.26 g/mol
LogP2.64
Rot. Bonds7

About 1-[2-[2-(2,6-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine

1-[2-[2-(2,6-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine (PubChem CID 30075930) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 1-[2-[2-(2,6-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-[2-(2,6-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine
PubChem CID30075930
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name1-[2-[2-(2,6-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine
SMILESCN1CCN(CCOCCOc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C15H22Cl2N2O2/c1-18-5-7-19(8-6-18)9-10-20-11-12-21-15-13(16)3-2-4-14(15)17/h2-4H,5-12H2,1H3
InChIKeyYBXOWEGMXKQPAP-UHFFFAOYSA-N
XLogP2.64
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2,3-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 2270787
1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]-4-methylpiperazine
CID 30088160
1-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 44828232
1-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 2888311
1-[2-[2-(4-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 2270536
1-[2-[2-(2,4-dichloro-6-methylphenoxy)ethoxy]ethyl]-3-methylimidazolidine
CID 162432618
[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]phenyl]methanol
CID 2996618
1-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine
CID 2923305
4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]phenol
CID 8690234
1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine
CID 2299248
2,6-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889033
1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine
CID 91276351

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,6-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-[2-(2,6-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine (CID 30075930) is 1-[2-[2-(2,6-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-[2-(2,6-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-[2-(2,6-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine is CN1CCN(CCOCCOc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-[2-[2-(2,6-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine?
The InChIKey is YBXOWEGMXKQPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2/c1-18-5-7-19(8-6-18)9-10-20-11-12-21-15-13(16)3-2-4-14(15)17/h2-4H,5-12H2,1H3.
What are the key properties of 1-[2-[2-(2,6-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine?
1-[2-[2-(2,6-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine has a molecular weight of 333.26 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,6-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine is sourced from PubChem (CID 30075930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).