(3S,4S)-4-(5-fluoro-6-methyl-2-pyridinyl)piperidine-3,4-diol

C11H15FN2O2 — CID 142722521

IUPAC(3S,4S)-4-(5-fluoro-6-methyl-2-pyridinyl)piperidine-3,4-diol
SMILESCc1nc([C@@]2(O)CCNC[C@@H]2O)ccc1F
InChIInChI=1S/C11H15FN2O2/c1-7-8(12)2-3-9(14-7)11(16)4-5-13-6-10(11)15/h2-3,10,13,15-16H,4-6H2,1H3/t10-,11-/m0/s1
InChIKeyYIBMWLDUMHNMGZ-QWRGUYRKSA-N
MW226.25 g/mol
LogP0.07
Rot. Bonds1

About (3S,4S)-4-(5-fluoro-6-methyl-2-pyridinyl)piperidine-3,4-diol

(3S,4S)-4-(5-fluoro-6-methyl-2-pyridinyl)piperidine-3,4-diol (PubChem CID 142722521) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is (3S,4S)-4-(5-fluoro-6-methyl-2-pyridinyl)piperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S)-4-(5-fluoro-6-methyl-2-pyridinyl)piperidine-3,4-diol
PubChem CID142722521
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name(3S,4S)-4-(5-fluoro-6-methyl-2-pyridinyl)piperidine-3,4-diol
SMILESCc1nc([C@@]2(O)CCNC[C@@H]2O)ccc1F
InChIInChI=1S/C11H15FN2O2/c1-7-8(12)2-3-9(14-7)11(16)4-5-13-6-10(11)15/h2-3,10,13,15-16H,4-6H2,1H3/t10-,11-/m0/s1
InChIKeyYIBMWLDUMHNMGZ-QWRGUYRKSA-N
XLogP0.07
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-4-(5-fluoro-6-methyl-2-pyridinyl)piperidine-3,4-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(5-fluoro-6-methyl-2-pyridinyl)piperidine-3,4-diol?
The IUPAC name of (3S,4S)-4-(5-fluoro-6-methyl-2-pyridinyl)piperidine-3,4-diol (CID 142722521) is (3S,4S)-4-(5-fluoro-6-methyl-2-pyridinyl)piperidine-3,4-diol.
What is the SMILES notation for (3S,4S)-4-(5-fluoro-6-methyl-2-pyridinyl)piperidine-3,4-diol?
The canonical SMILES for (3S,4S)-4-(5-fluoro-6-methyl-2-pyridinyl)piperidine-3,4-diol is Cc1nc([C@@]2(O)CCNC[C@@H]2O)ccc1F.
What is the InChIKey of (3S,4S)-4-(5-fluoro-6-methyl-2-pyridinyl)piperidine-3,4-diol?
The InChIKey is YIBMWLDUMHNMGZ-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7-8(12)2-3-9(14-7)11(16)4-5-13-6-10(11)15/h2-3,10,13,15-16H,4-6H2,1H3/t10-,11-/m0/s1.
What are the key properties of (3S,4S)-4-(5-fluoro-6-methyl-2-pyridinyl)piperidine-3,4-diol?
(3S,4S)-4-(5-fluoro-6-methyl-2-pyridinyl)piperidine-3,4-diol has a molecular weight of 226.25 g/mol, XLogP of 0.07, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(5-fluoro-6-methyl-2-pyridinyl)piperidine-3,4-diol is sourced from PubChem (CID 142722521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).