2-[(4-fluoropiperidin-4-yl)methyl]-5-methylpyrazine

C11H16FN3 — CID 163385594

IUPAC2-[(4-fluoropiperidin-4-yl)methyl]-5-methylpyrazine
SMILESCc1cnc(CC2(F)CCNCC2)cn1
InChIInChI=1S/C11H16FN3/c1-9-7-15-10(8-14-9)6-11(12)2-4-13-5-3-11/h7-8,13H,2-6H2,1H3
InChIKeyBJEARVYIFNSULM-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.42
Rot. Bonds2

About 2-[(4-fluoropiperidin-4-yl)methyl]-5-methylpyrazine

2-[(4-fluoropiperidin-4-yl)methyl]-5-methylpyrazine (PubChem CID 163385594) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-[(4-fluoropiperidin-4-yl)methyl]-5-methylpyrazine.

Molecular Properties

Compound Name2-[(4-fluoropiperidin-4-yl)methyl]-5-methylpyrazine
PubChem CID163385594
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name2-[(4-fluoropiperidin-4-yl)methyl]-5-methylpyrazine
SMILESCc1cnc(CC2(F)CCNCC2)cn1
InChIInChI=1S/C11H16FN3/c1-9-7-15-10(8-14-9)6-11(12)2-4-13-5-3-11/h7-8,13H,2-6H2,1H3
InChIKeyBJEARVYIFNSULM-UHFFFAOYSA-N
XLogP1.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoropiperidin-4-yl)methyl]-5-methylpyrazine?
The IUPAC name of 2-[(4-fluoropiperidin-4-yl)methyl]-5-methylpyrazine (CID 163385594) is 2-[(4-fluoropiperidin-4-yl)methyl]-5-methylpyrazine.
What is the SMILES notation for 2-[(4-fluoropiperidin-4-yl)methyl]-5-methylpyrazine?
The canonical SMILES for 2-[(4-fluoropiperidin-4-yl)methyl]-5-methylpyrazine is Cc1cnc(CC2(F)CCNCC2)cn1.
What is the InChIKey of 2-[(4-fluoropiperidin-4-yl)methyl]-5-methylpyrazine?
The InChIKey is BJEARVYIFNSULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c1-9-7-15-10(8-14-9)6-11(12)2-4-13-5-3-11/h7-8,13H,2-6H2,1H3.
What are the key properties of 2-[(4-fluoropiperidin-4-yl)methyl]-5-methylpyrazine?
2-[(4-fluoropiperidin-4-yl)methyl]-5-methylpyrazine has a molecular weight of 209.27 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoropiperidin-4-yl)methyl]-5-methylpyrazine is sourced from PubChem (CID 163385594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).