1-[6-(difluoromethyl)-1-methyl-2H-pyridin-5-yl]piperazine

C11H17F2N3 — CID 175963246

IUPAC1-[6-(difluoromethyl)-1-methyl-2H-pyridin-5-yl]piperazine
SMILESCN1CC=CC(N2CCNCC2)=C1C(F)F
InChIInChI=1S/C11H17F2N3/c1-15-6-2-3-9(10(15)11(12)13)16-7-4-14-5-8-16/h2-3,11,14H,4-8H2,1H3
InChIKeyQPESDYYAYMABGN-UHFFFAOYSA-N
MW229.27 g/mol
LogP0.87
Rot. Bonds2

About 1-[6-(difluoromethyl)-1-methyl-2H-pyridin-5-yl]piperazine

1-[6-(difluoromethyl)-1-methyl-2H-pyridin-5-yl]piperazine (PubChem CID 175963246) has the molecular formula C11H17F2N3 and a molecular weight of 229.27 g/mol. Its IUPAC name is 1-[6-(difluoromethyl)-1-methyl-2H-pyridin-5-yl]piperazine.

Molecular Properties

Compound Name1-[6-(difluoromethyl)-1-methyl-2H-pyridin-5-yl]piperazine
PubChem CID175963246
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC Name1-[6-(difluoromethyl)-1-methyl-2H-pyridin-5-yl]piperazine
SMILESCN1CC=CC(N2CCNCC2)=C1C(F)F
InChIInChI=1S/C11H17F2N3/c1-15-6-2-3-9(10(15)11(12)13)16-7-4-14-5-8-16/h2-3,11,14H,4-8H2,1H3
InChIKeyQPESDYYAYMABGN-UHFFFAOYSA-N
XLogP0.87
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[6-(difluoromethyl)-1-methyl-2H-pyridin-5-yl]piperazine 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 1-[6-(difluoromethyl)-1-methyl-2H-pyridin-5-yl]piperazine?
The IUPAC name of 1-[6-(difluoromethyl)-1-methyl-2H-pyridin-5-yl]piperazine (CID 175963246) is 1-[6-(difluoromethyl)-1-methyl-2H-pyridin-5-yl]piperazine.
What is the SMILES notation for 1-[6-(difluoromethyl)-1-methyl-2H-pyridin-5-yl]piperazine?
The canonical SMILES for 1-[6-(difluoromethyl)-1-methyl-2H-pyridin-5-yl]piperazine is CN1CC=CC(N2CCNCC2)=C1C(F)F.
What is the InChIKey of 1-[6-(difluoromethyl)-1-methyl-2H-pyridin-5-yl]piperazine?
The InChIKey is QPESDYYAYMABGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3/c1-15-6-2-3-9(10(15)11(12)13)16-7-4-14-5-8-16/h2-3,11,14H,4-8H2,1H3.
What are the key properties of 1-[6-(difluoromethyl)-1-methyl-2H-pyridin-5-yl]piperazine?
1-[6-(difluoromethyl)-1-methyl-2H-pyridin-5-yl]piperazine has a molecular weight of 229.27 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(difluoromethyl)-1-methyl-2H-pyridin-5-yl]piperazine is sourced from PubChem (CID 175963246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).