2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)pyrazine

C12H18FN3 — CID 167364064

IUPAC2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)pyrazine
SMILESCC(C)C1CC(F)CN(c2cnccn2)C1
InChIInChI=1S/C12H18FN3/c1-9(2)10-5-11(13)8-16(7-10)12-6-14-3-4-15-12/h3-4,6,9-11H,5,7-8H2,1-2H3
InChIKeyVMEHXCUKIHMGOY-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.30
Rot. Bonds2

About 2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)pyrazine

2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)pyrazine (PubChem CID 167364064) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)pyrazine.

Molecular Properties

Compound Name2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)pyrazine
PubChem CID167364064
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)pyrazine
SMILESCC(C)C1CC(F)CN(c2cnccn2)C1
InChIInChI=1S/C12H18FN3/c1-9(2)10-5-11(13)8-16(7-10)12-6-14-3-4-15-12/h3-4,6,9-11H,5,7-8H2,1-2H3
InChIKeyVMEHXCUKIHMGOY-UHFFFAOYSA-N
XLogP2.30
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)pyrazine?
The IUPAC name of 2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)pyrazine (CID 167364064) is 2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)pyrazine.
What is the SMILES notation for 2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)pyrazine?
The canonical SMILES for 2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)pyrazine is CC(C)C1CC(F)CN(c2cnccn2)C1.
What is the InChIKey of 2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)pyrazine?
The InChIKey is VMEHXCUKIHMGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-9(2)10-5-11(13)8-16(7-10)12-6-14-3-4-15-12/h3-4,6,9-11H,5,7-8H2,1-2H3.
What are the key properties of 2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)pyrazine?
2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)pyrazine has a molecular weight of 223.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-propan-2-ylpiperidin-1-yl)pyrazine is sourced from PubChem (CID 167364064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).