2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)-5-methylpyrazine

C13H20FN3 — CID 167364043

IUPAC2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)-5-methylpyrazine
SMILESCc1cnc(N2CC(F)CC(C(C)C)C2)cn1
InChIInChI=1S/C13H20FN3/c1-9(2)11-4-12(14)8-17(7-11)13-6-15-10(3)5-16-13/h5-6,9,11-12H,4,7-8H2,1-3H3
InChIKeyLQTJXXYDZLSDCR-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.61
Rot. Bonds2

About 2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)-5-methylpyrazine

2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)-5-methylpyrazine (PubChem CID 167364043) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)-5-methylpyrazine.

Molecular Properties

Compound Name2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)-5-methylpyrazine
PubChem CID167364043
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC Name2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)-5-methylpyrazine
SMILESCc1cnc(N2CC(F)CC(C(C)C)C2)cn1
InChIInChI=1S/C13H20FN3/c1-9(2)11-4-12(14)8-17(7-11)13-6-15-10(3)5-16-13/h5-6,9,11-12H,4,7-8H2,1-3H3
InChIKeyLQTJXXYDZLSDCR-UHFFFAOYSA-N
XLogP2.61
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)-5-methylpyrazine?
The IUPAC name of 2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)-5-methylpyrazine (CID 167364043) is 2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)-5-methylpyrazine.
What is the SMILES notation for 2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)-5-methylpyrazine?
The canonical SMILES for 2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)-5-methylpyrazine is Cc1cnc(N2CC(F)CC(C(C)C)C2)cn1.
What is the InChIKey of 2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)-5-methylpyrazine?
The InChIKey is LQTJXXYDZLSDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c1-9(2)11-4-12(14)8-17(7-11)13-6-15-10(3)5-16-13/h5-6,9,11-12H,4,7-8H2,1-3H3.
What are the key properties of 2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)-5-methylpyrazine?
2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)-5-methylpyrazine has a molecular weight of 237.32 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)-5-methylpyrazine is sourced from PubChem (CID 167364043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).