2-[4-(difluoromethyl)piperidin-1-yl]-6-methylpyrazine

C11H15F2N3 — CID 166600611

IUPAC2-[4-(difluoromethyl)piperidin-1-yl]-6-methylpyrazine
SMILESCc1cncc(N2CCC(C(F)F)CC2)n1
InChIInChI=1S/C11H15F2N3/c1-8-6-14-7-10(15-8)16-4-2-9(3-5-16)11(12)13/h6-7,9,11H,2-5H2,1H3
InChIKeyCRVOEEAWYGZSMB-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.27
Rot. Bonds2

About 2-[4-(difluoromethyl)piperidin-1-yl]-6-methylpyrazine

2-[4-(difluoromethyl)piperidin-1-yl]-6-methylpyrazine (PubChem CID 166600611) has the molecular formula C11H15F2N3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)piperidin-1-yl]-6-methylpyrazine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)piperidin-1-yl]-6-methylpyrazine
PubChem CID166600611
Molecular FormulaC11H15F2N3
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-[4-(difluoromethyl)piperidin-1-yl]-6-methylpyrazine
SMILESCc1cncc(N2CCC(C(F)F)CC2)n1
InChIInChI=1S/C11H15F2N3/c1-8-6-14-7-10(15-8)16-4-2-9(3-5-16)11(12)13/h6-7,9,11H,2-5H2,1H3
InChIKeyCRVOEEAWYGZSMB-UHFFFAOYSA-N
XLogP2.27
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)piperidin-1-yl]-6-methylpyrazine?
The IUPAC name of 2-[4-(difluoromethyl)piperidin-1-yl]-6-methylpyrazine (CID 166600611) is 2-[4-(difluoromethyl)piperidin-1-yl]-6-methylpyrazine.
What is the SMILES notation for 2-[4-(difluoromethyl)piperidin-1-yl]-6-methylpyrazine?
The canonical SMILES for 2-[4-(difluoromethyl)piperidin-1-yl]-6-methylpyrazine is Cc1cncc(N2CCC(C(F)F)CC2)n1.
What is the InChIKey of 2-[4-(difluoromethyl)piperidin-1-yl]-6-methylpyrazine?
The InChIKey is CRVOEEAWYGZSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3/c1-8-6-14-7-10(15-8)16-4-2-9(3-5-16)11(12)13/h6-7,9,11H,2-5H2,1H3.
What are the key properties of 2-[4-(difluoromethyl)piperidin-1-yl]-6-methylpyrazine?
2-[4-(difluoromethyl)piperidin-1-yl]-6-methylpyrazine has a molecular weight of 227.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)piperidin-1-yl]-6-methylpyrazine is sourced from PubChem (CID 166600611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).