4-[2-(1-aminoethyl)-4-fluorophenyl]-3,3-dimethylpiperazin-2-one

C14H20FN3O — CID 55216696

IUPAC4-[2-(1-aminoethyl)-4-fluorophenyl]-3,3-dimethylpiperazin-2-one
SMILESCC(N)c1cc(F)ccc1N1CCNC(=O)C1(C)C
InChIInChI=1S/C14H20FN3O/c1-9(16)11-8-10(15)4-5-12(11)18-7-6-17-13(19)14(18,2)3/h4-5,8-9H,6-7,16H2,1-3H3,(H,17,19)
InChIKeyKIMDLMNGKZYBOS-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.56
Rot. Bonds2

About 4-[2-(1-aminoethyl)-4-fluorophenyl]-3,3-dimethylpiperazin-2-one

4-[2-(1-aminoethyl)-4-fluorophenyl]-3,3-dimethylpiperazin-2-one (PubChem CID 55216696) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-[2-(1-aminoethyl)-4-fluorophenyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(1-aminoethyl)-4-fluorophenyl]-3,3-dimethylpiperazin-2-one
PubChem CID55216696
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name4-[2-(1-aminoethyl)-4-fluorophenyl]-3,3-dimethylpiperazin-2-one
SMILESCC(N)c1cc(F)ccc1N1CCNC(=O)C1(C)C
InChIInChI=1S/C14H20FN3O/c1-9(16)11-8-10(15)4-5-12(11)18-7-6-17-13(19)14(18,2)3/h4-5,8-9H,6-7,16H2,1-3H3,(H,17,19)
InChIKeyKIMDLMNGKZYBOS-UHFFFAOYSA-N
XLogP1.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-(1-aminoethyl)-4-fluorophenyl]-3,3-dimethylpiperazin-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-aminoethyl)-4-fluorophenyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-(1-aminoethyl)-4-fluorophenyl]-3,3-dimethylpiperazin-2-one (CID 55216696) is 4-[2-(1-aminoethyl)-4-fluorophenyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(1-aminoethyl)-4-fluorophenyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-(1-aminoethyl)-4-fluorophenyl]-3,3-dimethylpiperazin-2-one is CC(N)c1cc(F)ccc1N1CCNC(=O)C1(C)C.
What is the InChIKey of 4-[2-(1-aminoethyl)-4-fluorophenyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is KIMDLMNGKZYBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-9(16)11-8-10(15)4-5-12(11)18-7-6-17-13(19)14(18,2)3/h4-5,8-9H,6-7,16H2,1-3H3,(H,17,19).
What are the key properties of 4-[2-(1-aminoethyl)-4-fluorophenyl]-3,3-dimethylpiperazin-2-one?
4-[2-(1-aminoethyl)-4-fluorophenyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 265.33 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-aminoethyl)-4-fluorophenyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 55216696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).