1-[2-(4,5-difluoro-2-methylphenoxy)ethyl]piperazine

C13H18F2N2O — CID 114276739

IUPAC1-[2-(4,5-difluoro-2-methylphenoxy)ethyl]piperazine
SMILESCc1cc(F)c(F)cc1OCCN1CCNCC1
InChIInChI=1S/C13H18F2N2O/c1-10-8-11(14)12(15)9-13(10)18-7-6-17-4-2-16-3-5-17/h8-9,16H,2-7H2,1H3
InChIKeyXCCXPOHTWSSTBJ-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.56
Rot. Bonds4

About 1-[2-(4,5-difluoro-2-methylphenoxy)ethyl]piperazine

1-[2-(4,5-difluoro-2-methylphenoxy)ethyl]piperazine (PubChem CID 114276739) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[2-(4,5-difluoro-2-methylphenoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(4,5-difluoro-2-methylphenoxy)ethyl]piperazine
PubChem CID114276739
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-[2-(4,5-difluoro-2-methylphenoxy)ethyl]piperazine
SMILESCc1cc(F)c(F)cc1OCCN1CCNCC1
InChIInChI=1S/C13H18F2N2O/c1-10-8-11(14)12(15)9-13(10)18-7-6-17-4-2-16-3-5-17/h8-9,16H,2-7H2,1H3
InChIKeyXCCXPOHTWSSTBJ-UHFFFAOYSA-N
XLogP1.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

difluoromethane;1-[2-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine
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CID 114270917
1-[2-(2,3-difluorophenoxy)ethyl]piperazine
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1-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]piperazine
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1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine
CID 117384392
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CID 63597783
1-[2-(2,4-difluorophenoxy)ethyl]-1,4-diazepane
CID 82088956
1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine
CID 5154793
1-[4-(2,5-dimethyl-4-propoxyphenyl)butyl]piperazine
CID 83940966
1-[2-[4-fluoro-2-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperazine
CID 139743344
1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine
CID 94693693
1-[2-(4-fluoro-2-nitrophenoxy)ethyl]piperazine
CID 62368022

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,5-difluoro-2-methylphenoxy)ethyl]piperazine?
The IUPAC name of 1-[2-(4,5-difluoro-2-methylphenoxy)ethyl]piperazine (CID 114276739) is 1-[2-(4,5-difluoro-2-methylphenoxy)ethyl]piperazine.
What is the SMILES notation for 1-[2-(4,5-difluoro-2-methylphenoxy)ethyl]piperazine?
The canonical SMILES for 1-[2-(4,5-difluoro-2-methylphenoxy)ethyl]piperazine is Cc1cc(F)c(F)cc1OCCN1CCNCC1.
What is the InChIKey of 1-[2-(4,5-difluoro-2-methylphenoxy)ethyl]piperazine?
The InChIKey is XCCXPOHTWSSTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-10-8-11(14)12(15)9-13(10)18-7-6-17-4-2-16-3-5-17/h8-9,16H,2-7H2,1H3.
What are the key properties of 1-[2-(4,5-difluoro-2-methylphenoxy)ethyl]piperazine?
1-[2-(4,5-difluoro-2-methylphenoxy)ethyl]piperazine has a molecular weight of 256.30 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5-difluoro-2-methylphenoxy)ethyl]piperazine is sourced from PubChem (CID 114276739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).