(3R,4R)-3-fluoro-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-ol

C15H23BFN3O3 — CID 129406806

IUPAC(3R,4R)-3-fluoro-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-ol
SMILESCC1(C)OB(c2cnc(N3CC[C@@H](O)[C@H](F)C3)nc2)OC1(C)C
InChIInChI=1S/C15H23BFN3O3/c1-14(2)15(3,4)23-16(22-14)10-7-18-13(19-8-10)20-6-5-12(21)11(17)9-20/h7-8,11-12,21H,5-6,9H2,1-4H3/t11-,12-/m1/s1
InChIKeyHQXNHZCGYDRQCA-VXGBXAGGSA-N
MW323.18 g/mol
LogP0.68
Rot. Bonds2

About (3R,4R)-3-fluoro-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-ol

(3R,4R)-3-fluoro-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-ol (PubChem CID 129406806) has the molecular formula C15H23BFN3O3 and a molecular weight of 323.18 g/mol. Its IUPAC name is (3R,4R)-3-fluoro-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-fluoro-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-ol
PubChem CID129406806
Molecular FormulaC15H23BFN3O3
Molecular Weight323.18 g/mol
Exact Mass323.18
IUPAC Name(3R,4R)-3-fluoro-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-ol
SMILESCC1(C)OB(c2cnc(N3CC[C@@H](O)[C@H](F)C3)nc2)OC1(C)C
InChIInChI=1S/C15H23BFN3O3/c1-14(2)15(3,4)23-16(22-14)10-7-18-13(19-8-10)20-6-5-12(21)11(17)9-20/h7-8,11-12,21H,5-6,9H2,1-4H3/t11-,12-/m1/s1
InChIKeyHQXNHZCGYDRQCA-VXGBXAGGSA-N
XLogP0.68
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3R,4R)-3-fluoro-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluoropiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CID 75201253
N'-[[(3S)-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methyl]ethane-1,2-diamine
CID 99867431
2-[[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]amino]ethanol
CID 71633865
2-[(2R)-2-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperazin-1-yl]ethanol
CID 99867850
N-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-yl]acetamide
CID 71629056
1-(2-aminoethyl)-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperazine-2-carboxylic acid
CID 71633917
N'-[[(3S)-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-3-yl]methyl]ethane-1,2-diamine
CID 99867447
(2S)-2,3-dihydroxy-N-[(3R)-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]propanamide
CID 99867423
2,3-dihydroxy-N-[(3S)-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]propanamide
CID 71633851
2-[[(3S)-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-3-yl]methylamino]ethanol
CID 99867449
5-bromo-2-fluoropyrimidine;5-bromo-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidine;(3R)-3-fluoro-1-methylpyrrolidine;2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride
CID 162032073
2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 171545633

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-fluoro-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-ol?
The IUPAC name of (3R,4R)-3-fluoro-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-ol (CID 129406806) is (3R,4R)-3-fluoro-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-ol.
What is the SMILES notation for (3R,4R)-3-fluoro-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-ol?
The canonical SMILES for (3R,4R)-3-fluoro-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-ol is CC1(C)OB(c2cnc(N3CC[C@@H](O)[C@H](F)C3)nc2)OC1(C)C.
What is the InChIKey of (3R,4R)-3-fluoro-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-ol?
The InChIKey is HQXNHZCGYDRQCA-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H23BFN3O3/c1-14(2)15(3,4)23-16(22-14)10-7-18-13(19-8-10)20-6-5-12(21)11(17)9-20/h7-8,11-12,21H,5-6,9H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of (3R,4R)-3-fluoro-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-ol?
(3R,4R)-3-fluoro-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-ol has a molecular weight of 323.18 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-fluoro-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 129406806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).