2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-3-methylpyrazine

C11H15F2N3 — CID 125143380

IUPAC2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-3-methylpyrazine
SMILESCc1nccnc1N1CCC(F)(F)[C@@H](C)C1
InChIInChI=1S/C11H15F2N3/c1-8-7-16(6-3-11(8,12)13)10-9(2)14-4-5-15-10/h4-5,8H,3,6-7H2,1-2H3/t8-/m0/s1
InChIKeyTYNHYAWUXDYJEB-QMMMGPOBSA-N
MW227.26 g/mol
LogP2.27
Rot. Bonds1

About 2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-3-methylpyrazine

2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-3-methylpyrazine (PubChem CID 125143380) has the molecular formula C11H15F2N3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-3-methylpyrazine.

Molecular Properties

Compound Name2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-3-methylpyrazine
PubChem CID125143380
Molecular FormulaC11H15F2N3
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-3-methylpyrazine
SMILESCc1nccnc1N1CCC(F)(F)[C@@H](C)C1
InChIInChI=1S/C11H15F2N3/c1-8-7-16(6-3-11(8,12)13)10-9(2)14-4-5-15-10/h4-5,8H,3,6-7H2,1-2H3/t8-/m0/s1
InChIKeyTYNHYAWUXDYJEB-QMMMGPOBSA-N
XLogP2.27
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-3-methylpyrazine?
The IUPAC name of 2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-3-methylpyrazine (CID 125143380) is 2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-3-methylpyrazine.
What is the SMILES notation for 2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-3-methylpyrazine?
The canonical SMILES for 2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-3-methylpyrazine is Cc1nccnc1N1CCC(F)(F)[C@@H](C)C1.
What is the InChIKey of 2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-3-methylpyrazine?
The InChIKey is TYNHYAWUXDYJEB-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15F2N3/c1-8-7-16(6-3-11(8,12)13)10-9(2)14-4-5-15-10/h4-5,8H,3,6-7H2,1-2H3/t8-/m0/s1.
What are the key properties of 2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-3-methylpyrazine?
2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-3-methylpyrazine has a molecular weight of 227.26 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-3-methylpyrazine is sourced from PubChem (CID 125143380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).