5-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylpiperazine

C16H25FN2O — CID 114840927

IUPAC5-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylpiperazine
SMILESCCC1CN(c2ccc(F)c(OC)c2)C(C(C)C)CN1
InChIInChI=1S/C16H25FN2O/c1-5-12-10-19(15(9-18-12)11(2)3)13-6-7-14(17)16(8-13)20-4/h6-8,11-12,15,18H,5,9-10H2,1-4H3
InChIKeyAGLYRJUURJVWFX-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.05
Rot. Bonds4

About 5-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylpiperazine

5-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylpiperazine (PubChem CID 114840927) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 5-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylpiperazine
PubChem CID114840927
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name5-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylpiperazine
SMILESCCC1CN(c2ccc(F)c(OC)c2)C(C(C)C)CN1
InChIInChI=1S/C16H25FN2O/c1-5-12-10-19(15(9-18-12)11(2)3)13-6-7-14(17)16(8-13)20-4/h6-8,11-12,15,18H,5,9-10H2,1-4H3
InChIKeyAGLYRJUURJVWFX-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylpiperazine (CID 114840927) is 5-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylpiperazine is CCC1CN(c2ccc(F)c(OC)c2)C(C(C)C)CN1.
What is the InChIKey of 5-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylpiperazine?
The InChIKey is AGLYRJUURJVWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-5-12-10-19(15(9-18-12)11(2)3)13-6-7-14(17)16(8-13)20-4/h6-8,11-12,15,18H,5,9-10H2,1-4H3.
What are the key properties of 5-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylpiperazine?
5-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylpiperazine has a molecular weight of 280.39 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 114840927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).