2-(3-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine

C15H23BFN3O2 — CID 175548647

IUPAC2-(3-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
SMILESCC1(C)OB(c2cnc(N3CCCC(F)C3)cn2)OC1(C)C
InChIInChI=1S/C15H23BFN3O2/c1-14(2)15(3,4)22-16(21-14)12-8-19-13(9-18-12)20-7-5-6-11(17)10-20/h8-9,11H,5-7,10H2,1-4H3
InChIKeyVTMYCYKMPJPYDS-UHFFFAOYSA-N
MW307.18 g/mol
LogP1.71
Rot. Bonds2

About 2-(3-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine

2-(3-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine (PubChem CID 175548647) has the molecular formula C15H23BFN3O2 and a molecular weight of 307.18 g/mol. Its IUPAC name is 2-(3-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine.

Molecular Properties

Compound Name2-(3-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
PubChem CID175548647
Molecular FormulaC15H23BFN3O2
Molecular Weight307.18 g/mol
Exact Mass307.19
IUPAC Name2-(3-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
SMILESCC1(C)OB(c2cnc(N3CCCC(F)C3)cn2)OC1(C)C
InChIInChI=1S/C15H23BFN3O2/c1-14(2)15(3,4)22-16(21-14)12-8-19-13(9-18-12)20-7-5-6-11(17)10-20/h8-9,11H,5-7,10H2,1-4H3
InChIKeyVTMYCYKMPJPYDS-UHFFFAOYSA-N
XLogP1.71
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?
The IUPAC name of 2-(3-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine (CID 175548647) is 2-(3-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine.
What is the SMILES notation for 2-(3-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?
The canonical SMILES for 2-(3-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine is CC1(C)OB(c2cnc(N3CCCC(F)C3)cn2)OC1(C)C.
What is the InChIKey of 2-(3-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?
The InChIKey is VTMYCYKMPJPYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BFN3O2/c1-14(2)15(3,4)22-16(21-14)12-8-19-13(9-18-12)20-7-5-6-11(17)10-20/h8-9,11H,5-7,10H2,1-4H3.
What are the key properties of 2-(3-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?
2-(3-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine has a molecular weight of 307.18 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine is sourced from PubChem (CID 175548647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).