(2,6-dimethylpiperazin-1-yl)-(2-fluoro-5-methylphenyl)methanone

C14H19FN2O — CID 63911957

IUPAC(2,6-dimethylpiperazin-1-yl)-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)N2C(C)CNCC2C)c1
InChIInChI=1S/C14H19FN2O/c1-9-4-5-13(15)12(6-9)14(18)17-10(2)7-16-8-11(17)3/h4-6,10-11,16H,7-8H2,1-3H3
InChIKeyCUVZOPSZFOCODT-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.96
Rot. Bonds1

About (2,6-dimethylpiperazin-1-yl)-(2-fluoro-5-methylphenyl)methanone

(2,6-dimethylpiperazin-1-yl)-(2-fluoro-5-methylphenyl)methanone (PubChem CID 63911957) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is (2,6-dimethylpiperazin-1-yl)-(2-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperazin-1-yl)-(2-fluoro-5-methylphenyl)methanone
PubChem CID63911957
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name(2,6-dimethylpiperazin-1-yl)-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)N2C(C)CNCC2C)c1
InChIInChI=1S/C14H19FN2O/c1-9-4-5-13(15)12(6-9)14(18)17-10(2)7-16-8-11(17)3/h4-6,10-11,16H,7-8H2,1-3H3
InChIKeyCUVZOPSZFOCODT-UHFFFAOYSA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2,6-dimethylpiperazin-1-yl)-(2-fluoro-5-methylphenyl)methanone 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 (2,6-dimethylpiperazin-1-yl)-(2-fluoro-5-methylphenyl)methanone?
The IUPAC name of (2,6-dimethylpiperazin-1-yl)-(2-fluoro-5-methylphenyl)methanone (CID 63911957) is (2,6-dimethylpiperazin-1-yl)-(2-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (2,6-dimethylpiperazin-1-yl)-(2-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (2,6-dimethylpiperazin-1-yl)-(2-fluoro-5-methylphenyl)methanone is Cc1ccc(F)c(C(=O)N2C(C)CNCC2C)c1.
What is the InChIKey of (2,6-dimethylpiperazin-1-yl)-(2-fluoro-5-methylphenyl)methanone?
The InChIKey is CUVZOPSZFOCODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9-4-5-13(15)12(6-9)14(18)17-10(2)7-16-8-11(17)3/h4-6,10-11,16H,7-8H2,1-3H3.
What are the key properties of (2,6-dimethylpiperazin-1-yl)-(2-fluoro-5-methylphenyl)methanone?
(2,6-dimethylpiperazin-1-yl)-(2-fluoro-5-methylphenyl)methanone has a molecular weight of 250.32 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperazin-1-yl)-(2-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 63911957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).