N-[(3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrazin-2-amine

C11H16F2N4 — CID 134542534

IUPACN-[(3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrazin-2-amine
SMILESCc1cnc(NCC2CCNCC2(F)F)cn1
InChIInChI=1S/C11H16F2N4/c1-8-4-16-10(6-15-8)17-5-9-2-3-14-7-11(9,12)13/h4,6,9,14H,2-3,5,7H2,1H3,(H,16,17)
InChIKeyFPERPIXTSMISCU-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.44
Rot. Bonds3

About N-[(3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrazin-2-amine

N-[(3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrazin-2-amine (PubChem CID 134542534) has the molecular formula C11H16F2N4 and a molecular weight of 242.27 g/mol. Its IUPAC name is N-[(3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrazin-2-amine
PubChem CID134542534
Molecular FormulaC11H16F2N4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC NameN-[(3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrazin-2-amine
SMILESCc1cnc(NCC2CCNCC2(F)F)cn1
InChIInChI=1S/C11H16F2N4/c1-8-4-16-10(6-15-8)17-5-9-2-3-14-7-11(9,12)13/h4,6,9,14H,2-3,5,7H2,1H3,(H,16,17)
InChIKeyFPERPIXTSMISCU-UHFFFAOYSA-N
XLogP1.44
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrazin-2-amine?
The IUPAC name of N-[(3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrazin-2-amine (CID 134542534) is N-[(3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrazin-2-amine.
What is the SMILES notation for N-[(3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrazin-2-amine?
The canonical SMILES for N-[(3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrazin-2-amine is Cc1cnc(NCC2CCNCC2(F)F)cn1.
What is the InChIKey of N-[(3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrazin-2-amine?
The InChIKey is FPERPIXTSMISCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4/c1-8-4-16-10(6-15-8)17-5-9-2-3-14-7-11(9,12)13/h4,6,9,14H,2-3,5,7H2,1H3,(H,16,17).
What are the key properties of N-[(3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrazin-2-amine?
N-[(3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrazin-2-amine has a molecular weight of 242.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluoropiperidin-4-yl)methyl]-5-methylpyrazin-2-amine is sourced from PubChem (CID 134542534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).