1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine

C15H22Cl2N2O2 — CID 2299248

IUPAC1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine
SMILESCc1cc(Cl)c(OCCOCCN2CCNCC2)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2O2/c1-12-10-13(16)15(14(17)11-12)21-9-8-20-7-6-19-4-2-18-3-5-19/h10-11,18H,2-9H2,1H3
InChIKeyUXGCOSBPOYSYCP-UHFFFAOYSA-N
MW333.26 g/mol
LogP2.60
Rot. Bonds7

About 1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine

1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine (PubChem CID 2299248) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine
PubChem CID2299248
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine
SMILESCc1cc(Cl)c(OCCOCCN2CCNCC2)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2O2/c1-12-10-13(16)15(14(17)11-12)21-9-8-20-7-6-19-4-2-18-3-5-19/h10-11,18H,2-9H2,1H3
InChIKeyUXGCOSBPOYSYCP-UHFFFAOYSA-N
XLogP2.60
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]piperazine;oxalic acid
CID 2944706
1-[3-(4-chloro-2,6-dimethylphenoxy)propyl]piperazine
CID 2195012
4-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]morpholine;oxalic acid
CID 2924016
1-[2-[2-(2,6-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 30075930
1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]piperidine
CID 2263039
1-[2-(2,6-dichlorophenoxy)ethyl]-1,4-diazepane
CID 43162548
4-[2-[2-(1,4-diazepan-1-yl)ethoxy]ethoxy]-2,3,6-trimethylphenol
CID 10853299
1-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 44828232
1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperazine
CID 2298410
4-methyl-1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperidine
CID 16616243
4-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]morpholine
CID 869403
1-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]pyrrolidine
CID 2299454

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine?
The IUPAC name of 1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine (CID 2299248) is 1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine.
What is the SMILES notation for 1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine?
The canonical SMILES for 1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine is Cc1cc(Cl)c(OCCOCCN2CCNCC2)c(Cl)c1.
What is the InChIKey of 1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine?
The InChIKey is UXGCOSBPOYSYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2/c1-12-10-13(16)15(14(17)11-12)21-9-8-20-7-6-19-4-2-18-3-5-19/h10-11,18H,2-9H2,1H3.
What are the key properties of 1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine?
1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine has a molecular weight of 333.26 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine is sourced from PubChem (CID 2299248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).