1-[2-[4-(fluoromethyl)phenoxy]ethyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine

C21H26F2N2O2 — CID 123651521

IUPAC1-[2-[4-(fluoromethyl)phenoxy]ethyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine
SMILESFCc1ccc(OCCN2CCN(CCOc3ccccc3F)CC2)cc1
InChIInChI=1S/C21H26F2N2O2/c22-17-18-5-7-19(8-6-18)26-15-13-24-9-11-25(12-10-24)14-16-27-21-4-2-1-3-20(21)23/h1-8H,9-17H2
InChIKeyZZZCBDUCOGYMDB-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.37
Rot. Bonds9

About 1-[2-[4-(fluoromethyl)phenoxy]ethyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine

1-[2-[4-(fluoromethyl)phenoxy]ethyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine (PubChem CID 123651521) has the molecular formula C21H26F2N2O2 and a molecular weight of 376.45 g/mol. Its IUPAC name is 1-[2-[4-(fluoromethyl)phenoxy]ethyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[4-(fluoromethyl)phenoxy]ethyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine
PubChem CID123651521
Molecular FormulaC21H26F2N2O2
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name1-[2-[4-(fluoromethyl)phenoxy]ethyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine
SMILESFCc1ccc(OCCN2CCN(CCOc3ccccc3F)CC2)cc1
InChIInChI=1S/C21H26F2N2O2/c22-17-18-5-7-19(8-6-18)26-15-13-24-9-11-25(12-10-24)14-16-27-21-4-2-1-3-20(21)23/h1-8H,9-17H2
InChIKeyZZZCBDUCOGYMDB-UHFFFAOYSA-N
XLogP3.37
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]ethanone
CID 110638301
1-[2-(2-fluorophenoxy)ethyl]-4-methylsulfonylpiperazine
CID 110638324
1-(4-ethylphenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
CID 110410208
1-[3-(1,3-benzodioxol-5-yl)propyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine
CID 67457316
1-[2-(4-fluorophenoxy)ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 67298873
N-benzyl-2-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 18138118
1-(2-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 45006688
1-ethyl-4-[2-(4-fluorophenoxy)ethyl]piperazine
CID 1301156
(3R)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-3-ol
CID 78963291
4-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]morpholine
CID 27267565
1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110638323
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(fluoromethyl)phenoxy]ethyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine?
The IUPAC name of 1-[2-[4-(fluoromethyl)phenoxy]ethyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine (CID 123651521) is 1-[2-[4-(fluoromethyl)phenoxy]ethyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine.
What is the SMILES notation for 1-[2-[4-(fluoromethyl)phenoxy]ethyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine?
The canonical SMILES for 1-[2-[4-(fluoromethyl)phenoxy]ethyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine is FCc1ccc(OCCN2CCN(CCOc3ccccc3F)CC2)cc1.
What is the InChIKey of 1-[2-[4-(fluoromethyl)phenoxy]ethyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine?
The InChIKey is ZZZCBDUCOGYMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2O2/c22-17-18-5-7-19(8-6-18)26-15-13-24-9-11-25(12-10-24)14-16-27-21-4-2-1-3-20(21)23/h1-8H,9-17H2.
What are the key properties of 1-[2-[4-(fluoromethyl)phenoxy]ethyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine?
1-[2-[4-(fluoromethyl)phenoxy]ethyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine has a molecular weight of 376.45 g/mol, XLogP of 3.37, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(fluoromethyl)phenoxy]ethyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine is sourced from PubChem (CID 123651521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).