(3-chloro-2-fluorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone

C13H16ClFN2O — CID 81265442

IUPAC(3-chloro-2-fluorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone
SMILESCC1CNCC(C)N1C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C13H16ClFN2O/c1-8-6-16-7-9(2)17(8)13(18)10-4-3-5-11(14)12(10)15/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyOAJICVYUEUMYSF-UHFFFAOYSA-N
MW270.73 g/mol
LogP2.30
Rot. Bonds1

About (3-chloro-2-fluorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone

(3-chloro-2-fluorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone (PubChem CID 81265442) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone
PubChem CID81265442
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC Name(3-chloro-2-fluorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone
SMILESCC1CNCC(C)N1C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C13H16ClFN2O/c1-8-6-16-7-9(2)17(8)13(18)10-4-3-5-11(14)12(10)15/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyOAJICVYUEUMYSF-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-chloro-2-fluorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

(3-chloro-2-methylphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 107098174
(3-chloro-2-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82755442
(2,6-dimethylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 63911393
(2,5-dichlorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63910582
(2,6-dimethylpiperazin-1-yl)-naphthalen-1-ylmethanone
CID 63910984
(2,6-dimethylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone
CID 79217052
(2,6-dimethylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 59376260
(2,6-dimethylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone
CID 107015881
2-(2-chlorophenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone
CID 63910205
(2,6-dimethylpiperazin-1-yl)-(2-fluoro-5-methylphenyl)methanone
CID 63911957
(4-chloro-2-hydroxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63910775
azepan-1-yl-(3-chloro-2-fluorophenyl)methanone
CID 80949460

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (3-chloro-2-fluorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone (CID 81265442) is (3-chloro-2-fluorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone is CC1CNCC(C)N1C(=O)c1cccc(Cl)c1F.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone?
The InChIKey is OAJICVYUEUMYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c1-8-6-16-7-9(2)17(8)13(18)10-4-3-5-11(14)12(10)15/h3-5,8-9,16H,6-7H2,1-2H3.
What are the key properties of (3-chloro-2-fluorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone?
(3-chloro-2-fluorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone has a molecular weight of 270.73 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 81265442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).