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

C15H23BFN3O2 — CID 75201253

IUPAC2-(4-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
SMILESCC1(C)OB(c2cnc(N3CCC(F)CC3)nc2)OC1(C)C
InChIInChI=1S/C15H23BFN3O2/c1-14(2)15(3,4)22-16(21-14)11-9-18-13(19-10-11)20-7-5-12(17)6-8-20/h9-10,12H,5-8H2,1-4H3
InChIKeyUBOWCZQLPNDWTF-UHFFFAOYSA-N
MW307.18 g/mol
LogP1.71
Rot. Bonds2

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

2-(4-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine (PubChem CID 75201253) has the molecular formula C15H23BFN3O2 and a molecular weight of 307.18 g/mol. Its IUPAC name is 2-(4-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine.

Molecular Properties

Compound Name2-(4-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
PubChem CID75201253
Molecular FormulaC15H23BFN3O2
Molecular Weight307.18 g/mol
Exact Mass307.19
IUPAC Name2-(4-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
SMILESCC1(C)OB(c2cnc(N3CCC(F)CC3)nc2)OC1(C)C
InChIInChI=1S/C15H23BFN3O2/c1-14(2)15(3,4)22-16(21-14)11-9-18-13(19-10-11)20-7-5-12(17)6-8-20/h9-10,12H,5-8H2,1-4H3
InChIKeyUBOWCZQLPNDWTF-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-(4-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?
The IUPAC name of 2-(4-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine (CID 75201253) is 2-(4-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine.
What is the SMILES notation for 2-(4-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?
The canonical SMILES for 2-(4-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine is CC1(C)OB(c2cnc(N3CCC(F)CC3)nc2)OC1(C)C.
What is the InChIKey of 2-(4-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?
The InChIKey is UBOWCZQLPNDWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BFN3O2/c1-14(2)15(3,4)22-16(21-14)11-9-18-13(19-10-11)20-7-5-12(17)6-8-20/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 2-(4-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?
2-(4-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine 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-(4-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine is sourced from PubChem (CID 75201253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).