(3R,4S)-4-fluoro-1-(6-methylsulfanyl-3-pyridinyl)piperidin-3-ol

C11H15FN2OS — CID 167295497

IUPAC(3R,4S)-4-fluoro-1-(6-methylsulfanyl-3-pyridinyl)piperidin-3-ol
SMILESCSc1ccc(N2CC[C@H](F)[C@H](O)C2)cn1
InChIInChI=1S/C11H15FN2OS/c1-16-11-3-2-8(6-13-11)14-5-4-9(12)10(15)7-14/h2-3,6,9-10,15H,4-5,7H2,1H3/t9-,10+/m0/s1
InChIKeyZEDOXQMKIBAKQO-VHSXEESVSA-N
MW242.32 g/mol
LogP1.71
Rot. Bonds2

About (3R,4S)-4-fluoro-1-(6-methylsulfanyl-3-pyridinyl)piperidin-3-ol

(3R,4S)-4-fluoro-1-(6-methylsulfanyl-3-pyridinyl)piperidin-3-ol (PubChem CID 167295497) has the molecular formula C11H15FN2OS and a molecular weight of 242.32 g/mol. Its IUPAC name is (3R,4S)-4-fluoro-1-(6-methylsulfanyl-3-pyridinyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-fluoro-1-(6-methylsulfanyl-3-pyridinyl)piperidin-3-ol
PubChem CID167295497
Molecular FormulaC11H15FN2OS
Molecular Weight242.32 g/mol
Exact Mass242.09
IUPAC Name(3R,4S)-4-fluoro-1-(6-methylsulfanyl-3-pyridinyl)piperidin-3-ol
SMILESCSc1ccc(N2CC[C@H](F)[C@H](O)C2)cn1
InChIInChI=1S/C11H15FN2OS/c1-16-11-3-2-8(6-13-11)14-5-4-9(12)10(15)7-14/h2-3,6,9-10,15H,4-5,7H2,1H3/t9-,10+/m0/s1
InChIKeyZEDOXQMKIBAKQO-VHSXEESVSA-N
XLogP1.71
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4S)-4-fluoro-1-(6-methylsulfanyl-3-pyridinyl)piperidin-3-ol 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 (3R,4S)-4-fluoro-1-(6-methylsulfanyl-3-pyridinyl)piperidin-3-ol?
The IUPAC name of (3R,4S)-4-fluoro-1-(6-methylsulfanyl-3-pyridinyl)piperidin-3-ol (CID 167295497) is (3R,4S)-4-fluoro-1-(6-methylsulfanyl-3-pyridinyl)piperidin-3-ol.
What is the SMILES notation for (3R,4S)-4-fluoro-1-(6-methylsulfanyl-3-pyridinyl)piperidin-3-ol?
The canonical SMILES for (3R,4S)-4-fluoro-1-(6-methylsulfanyl-3-pyridinyl)piperidin-3-ol is CSc1ccc(N2CC[C@H](F)[C@H](O)C2)cn1.
What is the InChIKey of (3R,4S)-4-fluoro-1-(6-methylsulfanyl-3-pyridinyl)piperidin-3-ol?
The InChIKey is ZEDOXQMKIBAKQO-VHSXEESVSA-N. The full InChI is InChI=1S/C11H15FN2OS/c1-16-11-3-2-8(6-13-11)14-5-4-9(12)10(15)7-14/h2-3,6,9-10,15H,4-5,7H2,1H3/t9-,10+/m0/s1.
What are the key properties of (3R,4S)-4-fluoro-1-(6-methylsulfanyl-3-pyridinyl)piperidin-3-ol?
(3R,4S)-4-fluoro-1-(6-methylsulfanyl-3-pyridinyl)piperidin-3-ol has a molecular weight of 242.32 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-fluoro-1-(6-methylsulfanyl-3-pyridinyl)piperidin-3-ol is sourced from PubChem (CID 167295497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).