1-[2-[4-fluoro-2-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperazine

C19H22F2N2O — CID 139743344

IUPAC1-[2-[4-fluoro-2-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperazine
SMILESFc1ccc(Cc2cc(F)ccc2OCCN2CCNCC2)cc1
InChIInChI=1S/C19H22F2N2O/c20-17-3-1-15(2-4-17)13-16-14-18(21)5-6-19(16)24-12-11-23-9-7-22-8-10-23/h1-6,14,22H,7-13H2
InChIKeyRDVZTFFXHFLMDS-UHFFFAOYSA-N
MW332.39 g/mol
LogP2.84
Rot. Bonds6

About 1-[2-[4-fluoro-2-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperazine

1-[2-[4-fluoro-2-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperazine (PubChem CID 139743344) has the molecular formula C19H22F2N2O and a molecular weight of 332.39 g/mol. Its IUPAC name is 1-[2-[4-fluoro-2-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[4-fluoro-2-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperazine
PubChem CID139743344
Molecular FormulaC19H22F2N2O
Molecular Weight332.39 g/mol
Exact Mass332.17
IUPAC Name1-[2-[4-fluoro-2-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperazine
SMILESFc1ccc(Cc2cc(F)ccc2OCCN2CCNCC2)cc1
InChIInChI=1S/C19H22F2N2O/c20-17-3-1-15(2-4-17)13-16-14-18(21)5-6-19(16)24-12-11-23-9-7-22-8-10-23/h1-6,14,22H,7-13H2
InChIKeyRDVZTFFXHFLMDS-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-difluorophenoxy)ethyl]-1,4-diazepane
CID 82088956
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1-[2-(4-fluoro-2-nitrophenoxy)ethyl]piperazine
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1-[2-(2,3-difluorophenoxy)ethyl]piperazine
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1-[2-[4-fluoro-2-[2-(4-fluorophenyl)ethyl]phenoxy]ethyl]pyrrolidin-3-ol
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1-[2-(4,5-difluoro-2-methylphenoxy)ethyl]piperazine
CID 114276739
1-[(2-cyclopropyloxy-5-fluorophenyl)methyl]piperazine
CID 117379378
1-[2-[(3-fluoro-4-methoxyphenyl)methoxy]ethyl]piperazine
CID 98018148
N-[[5-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 107696192
1-[2-(2-chloro-5-fluorophenyl)ethyl]piperazine
CID 82622203
1-[2-(2-ethyl-5-fluorophenyl)ethyl]piperazine
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CID 82160590

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-fluoro-2-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperazine?
The IUPAC name of 1-[2-[4-fluoro-2-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperazine (CID 139743344) is 1-[2-[4-fluoro-2-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperazine.
What is the SMILES notation for 1-[2-[4-fluoro-2-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperazine?
The canonical SMILES for 1-[2-[4-fluoro-2-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperazine is Fc1ccc(Cc2cc(F)ccc2OCCN2CCNCC2)cc1.
What is the InChIKey of 1-[2-[4-fluoro-2-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperazine?
The InChIKey is RDVZTFFXHFLMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O/c20-17-3-1-15(2-4-17)13-16-14-18(21)5-6-19(16)24-12-11-23-9-7-22-8-10-23/h1-6,14,22H,7-13H2.
What are the key properties of 1-[2-[4-fluoro-2-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperazine?
1-[2-[4-fluoro-2-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperazine has a molecular weight of 332.39 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-fluoro-2-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperazine is sourced from PubChem (CID 139743344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).