1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine

C14H21FN2O — CID 117384392

IUPAC1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine
SMILESCOc1cc(F)c(CCN2CCNCC2)cc1C
InChIInChI=1S/C14H21FN2O/c1-11-9-12(13(15)10-14(11)18-2)3-6-17-7-4-16-5-8-17/h9-10,16H,3-8H2,1-2H3
InChIKeyUJJXWWIEYOYYQW-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.59
Rot. Bonds4

About 1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine

1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine (PubChem CID 117384392) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine
PubChem CID117384392
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine
SMILESCOc1cc(F)c(CCN2CCNCC2)cc1C
InChIInChI=1S/C14H21FN2O/c1-11-9-12(13(15)10-14(11)18-2)3-6-17-7-4-16-5-8-17/h9-10,16H,3-8H2,1-2H3
InChIKeyUJJXWWIEYOYYQW-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]piperazine
CID 117384381
4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol
CID 117379682
1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82551173
1-[(4-fluoro-2-methoxy-5-methylphenyl)methyl]piperazine
CID 117349508
1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]piperazine
CID 117420263
1-[2-(3-fluoro-5-methoxy-4-methylphenyl)ethyl]piperazine
CID 117384405
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196
1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine
CID 94693693
1-[2-(4,5-difluoro-2-methylphenoxy)ethyl]piperazine
CID 114276739
1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine
CID 117475075
1-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine
CID 117424695
1-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine
CID 82480406

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine (CID 117384392) is 1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine is COc1cc(F)c(CCN2CCNCC2)cc1C.
What is the InChIKey of 1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine?
The InChIKey is UJJXWWIEYOYYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-11-9-12(13(15)10-14(11)18-2)3-6-17-7-4-16-5-8-17/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine?
1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine has a molecular weight of 252.33 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine is sourced from PubChem (CID 117384392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).