2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methylpyrazine

C12H17F2N3O — CID 171704114

IUPAC2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methylpyrazine
SMILESCc1cncc(OC2CCN(CC(F)F)CC2)n1
InChIInChI=1S/C12H17F2N3O/c1-9-6-15-7-12(16-9)18-10-2-4-17(5-3-10)8-11(13)14/h6-7,10-11H,2-5,8H2,1H3
InChIKeyLRGOUNWXRQHZAE-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.89
Rot. Bonds4

About 2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methylpyrazine

2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methylpyrazine (PubChem CID 171704114) has the molecular formula C12H17F2N3O and a molecular weight of 257.28 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methylpyrazine.

Molecular Properties

Compound Name2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methylpyrazine
PubChem CID171704114
Molecular FormulaC12H17F2N3O
Molecular Weight257.28 g/mol
Exact Mass257.13
IUPAC Name2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methylpyrazine
SMILESCc1cncc(OC2CCN(CC(F)F)CC2)n1
InChIInChI=1S/C12H17F2N3O/c1-9-6-15-7-12(16-9)18-10-2-4-17(5-3-10)8-11(13)14/h6-7,10-11H,2-5,8H2,1H3
InChIKeyLRGOUNWXRQHZAE-UHFFFAOYSA-N
XLogP1.89
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methylpyrazine 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-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methylpyrazine?
The IUPAC name of 2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methylpyrazine (CID 171704114) is 2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methylpyrazine.
What is the SMILES notation for 2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methylpyrazine?
The canonical SMILES for 2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methylpyrazine is Cc1cncc(OC2CCN(CC(F)F)CC2)n1.
What is the InChIKey of 2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methylpyrazine?
The InChIKey is LRGOUNWXRQHZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O/c1-9-6-15-7-12(16-9)18-10-2-4-17(5-3-10)8-11(13)14/h6-7,10-11H,2-5,8H2,1H3.
What are the key properties of 2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methylpyrazine?
2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methylpyrazine has a molecular weight of 257.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methylpyrazine is sourced from PubChem (CID 171704114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).