3-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine

C16H19FN4O — CID 163351030

IUPAC3-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(OC2CCN(c3ncccc3F)CC2)n1
InChIInChI=1S/C16H19FN4O/c1-11-10-19-12(2)16(20-11)22-13-5-8-21(9-6-13)15-14(17)4-3-7-18-15/h3-4,7,10,13H,5-6,8-9H2,1-2H3
InChIKeyRQMZBHONTNWNFP-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.68
Rot. Bonds3

About 3-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine

3-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine (PubChem CID 163351030) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 3-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine.

Molecular Properties

Compound Name3-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine
PubChem CID163351030
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name3-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(OC2CCN(c3ncccc3F)CC2)n1
InChIInChI=1S/C16H19FN4O/c1-11-10-19-12(2)16(20-11)22-13-5-8-21(9-6-13)15-14(17)4-3-7-18-15/h3-4,7,10,13H,5-6,8-9H2,1-2H3
InChIKeyRQMZBHONTNWNFP-UHFFFAOYSA-N
XLogP2.68
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine?
The IUPAC name of 3-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine (CID 163351030) is 3-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine.
What is the SMILES notation for 3-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine?
The canonical SMILES for 3-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine is Cc1cnc(C)c(OC2CCN(c3ncccc3F)CC2)n1.
What is the InChIKey of 3-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine?
The InChIKey is RQMZBHONTNWNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-11-10-19-12(2)16(20-11)22-13-5-8-21(9-6-13)15-14(17)4-3-7-18-15/h3-4,7,10,13H,5-6,8-9H2,1-2H3.
What are the key properties of 3-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine?
3-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine has a molecular weight of 302.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]oxy-2,5-dimethylpyrazine is sourced from PubChem (CID 163351030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).