2,5-diethyl-1-[2-(4-fluorophenoxy)ethyl]piperazine

C16H25FN2O — CID 64978713

IUPAC2,5-diethyl-1-[2-(4-fluorophenoxy)ethyl]piperazine
SMILESCCC1CN(CCOc2ccc(F)cc2)C(CC)CN1
InChIInChI=1S/C16H25FN2O/c1-3-14-12-19(15(4-2)11-18-14)9-10-20-16-7-5-13(17)6-8-16/h5-8,14-15,18H,3-4,9-12H2,1-2H3
InChIKeyDSFCVIFIBASYQZ-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.67
Rot. Bonds6

About 2,5-diethyl-1-[2-(4-fluorophenoxy)ethyl]piperazine

2,5-diethyl-1-[2-(4-fluorophenoxy)ethyl]piperazine (PubChem CID 64978713) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 2,5-diethyl-1-[2-(4-fluorophenoxy)ethyl]piperazine.

Molecular Properties

Compound Name2,5-diethyl-1-[2-(4-fluorophenoxy)ethyl]piperazine
PubChem CID64978713
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name2,5-diethyl-1-[2-(4-fluorophenoxy)ethyl]piperazine
SMILESCCC1CN(CCOc2ccc(F)cc2)C(CC)CN1
InChIInChI=1S/C16H25FN2O/c1-3-14-12-19(15(4-2)11-18-14)9-10-20-16-7-5-13(17)6-8-16/h5-8,14-15,18H,3-4,9-12H2,1-2H3
InChIKeyDSFCVIFIBASYQZ-UHFFFAOYSA-N
XLogP2.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-bromophenoxy)ethyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64840961
2-tert-butyl-5-ethyl-1-(2-phenoxyethyl)piperazine
CID 64842922
1-(2-cyclopentyloxyethyl)-2,5-diethylpiperazine
CID 64941027
1-(2-but-3-enoxyethyl)-2,5-diethylpiperazine
CID 106409149
2,5-diethyl-1-(2-pyridin-2-ylethyl)piperazine
CID 64933750
5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
CID 64842706
2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine
CID 64842304
1-(3,3-diethoxypropyl)-2,5-diethylpiperazine
CID 81093832
1-(2,5-diethylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 64978524
2-[(2,5-diethylpiperazin-1-yl)methyl]-4-methoxyphenol
CID 64977910
1-(2-ethoxyethyl)-2-ethyl-5-propylpiperazine
CID 64846765
2-[(2,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 64946674

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1-[2-(4-fluorophenoxy)ethyl]piperazine?
The IUPAC name of 2,5-diethyl-1-[2-(4-fluorophenoxy)ethyl]piperazine (CID 64978713) is 2,5-diethyl-1-[2-(4-fluorophenoxy)ethyl]piperazine.
What is the SMILES notation for 2,5-diethyl-1-[2-(4-fluorophenoxy)ethyl]piperazine?
The canonical SMILES for 2,5-diethyl-1-[2-(4-fluorophenoxy)ethyl]piperazine is CCC1CN(CCOc2ccc(F)cc2)C(CC)CN1.
What is the InChIKey of 2,5-diethyl-1-[2-(4-fluorophenoxy)ethyl]piperazine?
The InChIKey is DSFCVIFIBASYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-14-12-19(15(4-2)11-18-14)9-10-20-16-7-5-13(17)6-8-16/h5-8,14-15,18H,3-4,9-12H2,1-2H3.
What are the key properties of 2,5-diethyl-1-[2-(4-fluorophenoxy)ethyl]piperazine?
2,5-diethyl-1-[2-(4-fluorophenoxy)ethyl]piperazine has a molecular weight of 280.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1-[2-(4-fluorophenoxy)ethyl]piperazine is sourced from PubChem (CID 64978713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).