4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]-1-methylpiperazin-2-one

C15H22FN3O — CID 64693858

IUPAC4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]-1-methylpiperazin-2-one
SMILESCCNC(C)c1cc(F)ccc1N1CCN(C)C(=O)C1
InChIInChI=1S/C15H22FN3O/c1-4-17-11(2)13-9-12(16)5-6-14(13)19-8-7-18(3)15(20)10-19/h5-6,9,11,17H,4,7-8,10H2,1-3H3
InChIKeyHEINUHSKYQNLES-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.77
Rot. Bonds4

About 4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]-1-methylpiperazin-2-one

4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]-1-methylpiperazin-2-one (PubChem CID 64693858) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]-1-methylpiperazin-2-one
PubChem CID64693858
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]-1-methylpiperazin-2-one
SMILESCCNC(C)c1cc(F)ccc1N1CCN(C)C(=O)C1
InChIInChI=1S/C15H22FN3O/c1-4-17-11(2)13-9-12(16)5-6-14(13)19-8-7-18(3)15(20)10-19/h5-6,9,11,17H,4,7-8,10H2,1-3H3
InChIKeyHEINUHSKYQNLES-UHFFFAOYSA-N
XLogP1.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]-1-methylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]-1-methylpiperazin-2-one (CID 64693858) is 4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]-1-methylpiperazin-2-one is CCNC(C)c1cc(F)ccc1N1CCN(C)C(=O)C1.
What is the InChIKey of 4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]-1-methylpiperazin-2-one?
The InChIKey is HEINUHSKYQNLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-4-17-11(2)13-9-12(16)5-6-14(13)19-8-7-18(3)15(20)10-19/h5-6,9,11,17H,4,7-8,10H2,1-3H3.
What are the key properties of 4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]-1-methylpiperazin-2-one?
4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]-1-methylpiperazin-2-one has a molecular weight of 279.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 64693858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).