(2S)-1-[5-fluoro-3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-2-methylpiperazine

C11H15F4N3 — CID 143499101

IUPAC(2S)-1-[5-fluoro-3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-2-methylpiperazine
SMILESC[C@H]1CNCCN1C1=C(F)C=C(C(F)(F)F)CN1
InChIInChI=1S/C11H15F4N3/c1-7-5-16-2-3-18(7)10-9(12)4-8(6-17-10)11(13,14)15/h4,7,16-17H,2-3,5-6H2,1H3/t7-/m0/s1
InChIKeyRPTYPSLBROKRSV-ZETCQYMHSA-N
MW265.25 g/mol
LogP1.51
Rot. Bonds1

About (2S)-1-[5-fluoro-3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-2-methylpiperazine

(2S)-1-[5-fluoro-3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-2-methylpiperazine (PubChem CID 143499101) has the molecular formula C11H15F4N3 and a molecular weight of 265.25 g/mol. Its IUPAC name is (2S)-1-[5-fluoro-3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-2-methylpiperazine.

Molecular Properties

Compound Name(2S)-1-[5-fluoro-3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-2-methylpiperazine
PubChem CID143499101
Molecular FormulaC11H15F4N3
Molecular Weight265.25 g/mol
Exact Mass265.12
IUPAC Name(2S)-1-[5-fluoro-3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-2-methylpiperazine
SMILESC[C@H]1CNCCN1C1=C(F)C=C(C(F)(F)F)CN1
InChIInChI=1S/C11H15F4N3/c1-7-5-16-2-3-18(7)10-9(12)4-8(6-17-10)11(13,14)15/h4,7,16-17H,2-3,5-6H2,1H3/t7-/m0/s1
InChIKeyRPTYPSLBROKRSV-ZETCQYMHSA-N
XLogP1.51
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[5-fluoro-3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-2-methylpiperazine 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 (2S)-1-[5-fluoro-3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-2-methylpiperazine?
The IUPAC name of (2S)-1-[5-fluoro-3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-2-methylpiperazine (CID 143499101) is (2S)-1-[5-fluoro-3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-2-methylpiperazine.
What is the SMILES notation for (2S)-1-[5-fluoro-3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-2-methylpiperazine?
The canonical SMILES for (2S)-1-[5-fluoro-3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-2-methylpiperazine is C[C@H]1CNCCN1C1=C(F)C=C(C(F)(F)F)CN1.
What is the InChIKey of (2S)-1-[5-fluoro-3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-2-methylpiperazine?
The InChIKey is RPTYPSLBROKRSV-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15F4N3/c1-7-5-16-2-3-18(7)10-9(12)4-8(6-17-10)11(13,14)15/h4,7,16-17H,2-3,5-6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1-[5-fluoro-3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-2-methylpiperazine?
(2S)-1-[5-fluoro-3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-2-methylpiperazine has a molecular weight of 265.25 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[5-fluoro-3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-2-methylpiperazine is sourced from PubChem (CID 143499101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).