2-[1-(3-fluoropropyl)piperidin-4-yl]oxy-6-methylpyrazine

C13H20FN3O — CID 171704144

IUPAC2-[1-(3-fluoropropyl)piperidin-4-yl]oxy-6-methylpyrazine
SMILESCc1cncc(OC2CCN(CCCF)CC2)n1
InChIInChI=1S/C13H20FN3O/c1-11-9-15-10-13(16-11)18-12-3-7-17(8-4-12)6-2-5-14/h9-10,12H,2-8H2,1H3
InChIKeySLQSAXJWUZYNDG-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.99
Rot. Bonds5

About 2-[1-(3-fluoropropyl)piperidin-4-yl]oxy-6-methylpyrazine

2-[1-(3-fluoropropyl)piperidin-4-yl]oxy-6-methylpyrazine (PubChem CID 171704144) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[1-(3-fluoropropyl)piperidin-4-yl]oxy-6-methylpyrazine.

Molecular Properties

Compound Name2-[1-(3-fluoropropyl)piperidin-4-yl]oxy-6-methylpyrazine
PubChem CID171704144
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name2-[1-(3-fluoropropyl)piperidin-4-yl]oxy-6-methylpyrazine
SMILESCc1cncc(OC2CCN(CCCF)CC2)n1
InChIInChI=1S/C13H20FN3O/c1-11-9-15-10-13(16-11)18-12-3-7-17(8-4-12)6-2-5-14/h9-10,12H,2-8H2,1H3
InChIKeySLQSAXJWUZYNDG-UHFFFAOYSA-N
XLogP1.99
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(3-fluoropropyl)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-(3-fluoropropyl)piperidin-4-yl]oxy-6-methylpyrazine?
The IUPAC name of 2-[1-(3-fluoropropyl)piperidin-4-yl]oxy-6-methylpyrazine (CID 171704144) is 2-[1-(3-fluoropropyl)piperidin-4-yl]oxy-6-methylpyrazine.
What is the SMILES notation for 2-[1-(3-fluoropropyl)piperidin-4-yl]oxy-6-methylpyrazine?
The canonical SMILES for 2-[1-(3-fluoropropyl)piperidin-4-yl]oxy-6-methylpyrazine is Cc1cncc(OC2CCN(CCCF)CC2)n1.
What is the InChIKey of 2-[1-(3-fluoropropyl)piperidin-4-yl]oxy-6-methylpyrazine?
The InChIKey is SLQSAXJWUZYNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-11-9-15-10-13(16-11)18-12-3-7-17(8-4-12)6-2-5-14/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-[1-(3-fluoropropyl)piperidin-4-yl]oxy-6-methylpyrazine?
2-[1-(3-fluoropropyl)piperidin-4-yl]oxy-6-methylpyrazine has a molecular weight of 253.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoropropyl)piperidin-4-yl]oxy-6-methylpyrazine is sourced from PubChem (CID 171704144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).