N-(2,2-difluoroethyl)-5-piperidin-4-ylpyrazin-2-amine

C11H16F2N4 — CID 95846722

IUPACN-(2,2-difluoroethyl)-5-piperidin-4-ylpyrazin-2-amine
SMILESFC(F)CNc1cnc(C2CCNCC2)cn1
InChIInChI=1S/C11H16F2N4/c12-10(13)6-17-11-7-15-9(5-16-11)8-1-3-14-4-2-8/h5,7-8,10,14H,1-4,6H2,(H,16,17)
InChIKeyJLDHYFHZZKDSLN-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.62
Rot. Bonds4

About N-(2,2-difluoroethyl)-5-piperidin-4-ylpyrazin-2-amine

N-(2,2-difluoroethyl)-5-piperidin-4-ylpyrazin-2-amine (PubChem CID 95846722) has the molecular formula C11H16F2N4 and a molecular weight of 242.27 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-piperidin-4-ylpyrazin-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-piperidin-4-ylpyrazin-2-amine
PubChem CID95846722
Molecular FormulaC11H16F2N4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC NameN-(2,2-difluoroethyl)-5-piperidin-4-ylpyrazin-2-amine
SMILESFC(F)CNc1cnc(C2CCNCC2)cn1
InChIInChI=1S/C11H16F2N4/c12-10(13)6-17-11-7-15-9(5-16-11)8-1-3-14-4-2-8/h5,7-8,10,14H,1-4,6H2,(H,16,17)
InChIKeyJLDHYFHZZKDSLN-UHFFFAOYSA-N
XLogP1.62
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-piperidin-4-ylpyrazin-2-amine?
The IUPAC name of N-(2,2-difluoroethyl)-5-piperidin-4-ylpyrazin-2-amine (CID 95846722) is N-(2,2-difluoroethyl)-5-piperidin-4-ylpyrazin-2-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-piperidin-4-ylpyrazin-2-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-5-piperidin-4-ylpyrazin-2-amine is FC(F)CNc1cnc(C2CCNCC2)cn1.
What is the InChIKey of N-(2,2-difluoroethyl)-5-piperidin-4-ylpyrazin-2-amine?
The InChIKey is JLDHYFHZZKDSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4/c12-10(13)6-17-11-7-15-9(5-16-11)8-1-3-14-4-2-8/h5,7-8,10,14H,1-4,6H2,(H,16,17).
What are the key properties of N-(2,2-difluoroethyl)-5-piperidin-4-ylpyrazin-2-amine?
N-(2,2-difluoroethyl)-5-piperidin-4-ylpyrazin-2-amine has a molecular weight of 242.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-piperidin-4-ylpyrazin-2-amine is sourced from PubChem (CID 95846722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).