2-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine

C16H19FN4O — CID 165434620

IUPAC2-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine
SMILESCc1nccnc1OCC1CCN(c2ncccc2F)CC1
InChIInChI=1S/C16H19FN4O/c1-12-16(20-8-7-18-12)22-11-13-4-9-21(10-5-13)15-14(17)3-2-6-19-15/h2-3,6-8,13H,4-5,9-11H2,1H3
InChIKeyNOKUGTJKRUHOBM-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.61
Rot. Bonds4

About 2-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine

2-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine (PubChem CID 165434620) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine.

Molecular Properties

Compound Name2-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine
PubChem CID165434620
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name2-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine
SMILESCc1nccnc1OCC1CCN(c2ncccc2F)CC1
InChIInChI=1S/C16H19FN4O/c1-12-16(20-8-7-18-12)22-11-13-4-9-21(10-5-13)15-14(17)3-2-6-19-15/h2-3,6-8,13H,4-5,9-11H2,1H3
InChIKeyNOKUGTJKRUHOBM-UHFFFAOYSA-N
XLogP2.61
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine?
The IUPAC name of 2-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine (CID 165434620) is 2-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine.
What is the SMILES notation for 2-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine?
The canonical SMILES for 2-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine is Cc1nccnc1OCC1CCN(c2ncccc2F)CC1.
What is the InChIKey of 2-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine?
The InChIKey is NOKUGTJKRUHOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-12-16(20-8-7-18-12)22-11-13-4-9-21(10-5-13)15-14(17)3-2-6-19-15/h2-3,6-8,13H,4-5,9-11H2,1H3.
What are the key properties of 2-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine?
2-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine has a molecular weight of 302.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyrazine is sourced from PubChem (CID 165434620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).