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

C11H15FN2OS — CID 167295499

IUPAC(3S,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-UWVGGRQHSA-N
MW242.32 g/mol
LogP1.71
Rot. Bonds2

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

(3S,4S)-4-fluoro-1-(6-methylsulfanyl-3-pyridinyl)piperidin-3-ol (PubChem CID 167295499) has the molecular formula C11H15FN2OS and a molecular weight of 242.32 g/mol. Its IUPAC name is (3S,4S)-4-fluoro-1-(6-methylsulfanyl-3-pyridinyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-fluoro-1-(6-methylsulfanyl-3-pyridinyl)piperidin-3-ol
PubChem CID167295499
Molecular FormulaC11H15FN2OS
Molecular Weight242.32 g/mol
Exact Mass242.09
IUPAC Name(3S,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-UWVGGRQHSA-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

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-fluoro-1-(6-methylsulfanyl-3-pyridinyl)piperidin-3-ol?
The IUPAC name of (3S,4S)-4-fluoro-1-(6-methylsulfanyl-3-pyridinyl)piperidin-3-ol (CID 167295499) is (3S,4S)-4-fluoro-1-(6-methylsulfanyl-3-pyridinyl)piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-fluoro-1-(6-methylsulfanyl-3-pyridinyl)piperidin-3-ol?
The canonical SMILES for (3S,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 (3S,4S)-4-fluoro-1-(6-methylsulfanyl-3-pyridinyl)piperidin-3-ol?
The InChIKey is ZEDOXQMKIBAKQO-UWVGGRQHSA-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 (3S,4S)-4-fluoro-1-(6-methylsulfanyl-3-pyridinyl)piperidin-3-ol?
(3S,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 (3S,4S)-4-fluoro-1-(6-methylsulfanyl-3-pyridinyl)piperidin-3-ol is sourced from PubChem (CID 167295499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).