2-[4-(fluoromethyl)piperidin-1-yl]-3-methylpyrazine

C11H16FN3 — CID 126793816

IUPAC2-[4-(fluoromethyl)piperidin-1-yl]-3-methylpyrazine
SMILESCc1nccnc1N1CCC(CF)CC1
InChIInChI=1S/C11H16FN3/c1-9-11(14-5-4-13-9)15-6-2-10(8-12)3-7-15/h4-5,10H,2-3,6-8H2,1H3
InChIKeyYAYNWNSYAQWKSB-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.97
Rot. Bonds2

About 2-[4-(fluoromethyl)piperidin-1-yl]-3-methylpyrazine

2-[4-(fluoromethyl)piperidin-1-yl]-3-methylpyrazine (PubChem CID 126793816) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-[4-(fluoromethyl)piperidin-1-yl]-3-methylpyrazine.

Molecular Properties

Compound Name2-[4-(fluoromethyl)piperidin-1-yl]-3-methylpyrazine
PubChem CID126793816
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name2-[4-(fluoromethyl)piperidin-1-yl]-3-methylpyrazine
SMILESCc1nccnc1N1CCC(CF)CC1
InChIInChI=1S/C11H16FN3/c1-9-11(14-5-4-13-9)15-6-2-10(8-12)3-7-15/h4-5,10H,2-3,6-8H2,1H3
InChIKeyYAYNWNSYAQWKSB-UHFFFAOYSA-N
XLogP1.97
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(fluoromethyl)piperidin-1-yl]-3-methylpyrazine?
The IUPAC name of 2-[4-(fluoromethyl)piperidin-1-yl]-3-methylpyrazine (CID 126793816) is 2-[4-(fluoromethyl)piperidin-1-yl]-3-methylpyrazine.
What is the SMILES notation for 2-[4-(fluoromethyl)piperidin-1-yl]-3-methylpyrazine?
The canonical SMILES for 2-[4-(fluoromethyl)piperidin-1-yl]-3-methylpyrazine is Cc1nccnc1N1CCC(CF)CC1.
What is the InChIKey of 2-[4-(fluoromethyl)piperidin-1-yl]-3-methylpyrazine?
The InChIKey is YAYNWNSYAQWKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c1-9-11(14-5-4-13-9)15-6-2-10(8-12)3-7-15/h4-5,10H,2-3,6-8H2,1H3.
What are the key properties of 2-[4-(fluoromethyl)piperidin-1-yl]-3-methylpyrazine?
2-[4-(fluoromethyl)piperidin-1-yl]-3-methylpyrazine has a molecular weight of 209.27 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(fluoromethyl)piperidin-1-yl]-3-methylpyrazine is sourced from PubChem (CID 126793816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).