1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethanamine

C14H22FN3 — CID 43188891

IUPAC1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethanamine
SMILESCCN1CCN(c2ccc(F)cc2C(C)N)CC1
InChIInChI=1S/C14H22FN3/c1-3-17-6-8-18(9-7-17)14-5-4-12(15)10-13(14)11(2)16/h4-5,10-11H,3,6-9,16H2,1-2H3
InChIKeyIWPIHYQVHUYKJX-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.99
Rot. Bonds3

About 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethanamine

1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethanamine (PubChem CID 43188891) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethanamine
PubChem CID43188891
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethanamine
SMILESCCN1CCN(c2ccc(F)cc2C(C)N)CC1
InChIInChI=1S/C14H22FN3/c1-3-17-6-8-18(9-7-17)14-5-4-12(15)10-13(14)11(2)16/h4-5,10-11H,3,6-9,16H2,1-2H3
InChIKeyIWPIHYQVHUYKJX-UHFFFAOYSA-N
XLogP1.99
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethanamine?
The IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethanamine (CID 43188891) is 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethanamine?
The canonical SMILES for 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethanamine is CCN1CCN(c2ccc(F)cc2C(C)N)CC1.
What is the InChIKey of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethanamine?
The InChIKey is IWPIHYQVHUYKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-3-17-6-8-18(9-7-17)14-5-4-12(15)10-13(14)11(2)16/h4-5,10-11H,3,6-9,16H2,1-2H3.
What are the key properties of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethanamine?
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethanamine has a molecular weight of 251.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 43188891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).