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

C14H22FN3 — CID 43313848

IUPAC1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine
SMILESCCN1CCN(c2ccc(F)cc2CNC)CC1
InChIInChI=1S/C14H22FN3/c1-3-17-6-8-18(9-7-17)14-5-4-13(15)10-12(14)11-16-2/h4-5,10,16H,3,6-9,11H2,1-2H3
InChIKeyVKJLUXCIAVJVMS-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.69
Rot. Bonds4

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

1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine (PubChem CID 43313848) 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]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine
PubChem CID43313848
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine
SMILESCCN1CCN(c2ccc(F)cc2CNC)CC1
InChIInChI=1S/C14H22FN3/c1-3-17-6-8-18(9-7-17)14-5-4-13(15)10-12(14)11-16-2/h4-5,10,16H,3,6-9,11H2,1-2H3
InChIKeyVKJLUXCIAVJVMS-UHFFFAOYSA-N
XLogP1.69
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.69
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]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine (CID 43313848) is 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine is CCN1CCN(c2ccc(F)cc2CNC)CC1.
What is the InChIKey of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine?
The InChIKey is VKJLUXCIAVJVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-3-17-6-8-18(9-7-17)14-5-4-13(15)10-12(14)11-16-2/h4-5,10,16H,3,6-9,11H2,1-2H3.
What are the key properties of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine?
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine has a molecular weight of 251.35 g/mol, XLogP of 1.69, 4 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]-N-methylmethanamine is sourced from PubChem (CID 43313848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).