[(3R,4S)-3-fluoro-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methanol

C11H18FN3O2 — CID 70648028

IUPAC[(3R,4S)-3-fluoro-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methanol
SMILESCC(C)c1noc(N2CC[C@@H](CO)[C@@H](F)C2)n1
InChIInChI=1S/C11H18FN3O2/c1-7(2)10-13-11(17-14-10)15-4-3-8(6-16)9(12)5-15/h7-9,16H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyJOGLYMNDAPXCNL-IUCAKERBSA-N
MW243.28 g/mol
LogP1.35
Rot. Bonds3

About [(3R,4S)-3-fluoro-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methanol

[(3R,4S)-3-fluoro-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methanol (PubChem CID 70648028) has the molecular formula C11H18FN3O2 and a molecular weight of 243.28 g/mol. Its IUPAC name is [(3R,4S)-3-fluoro-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[(3R,4S)-3-fluoro-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methanol
PubChem CID70648028
Molecular FormulaC11H18FN3O2
Molecular Weight243.28 g/mol
Exact Mass243.14
IUPAC Name[(3R,4S)-3-fluoro-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methanol
SMILESCC(C)c1noc(N2CC[C@@H](CO)[C@@H](F)C2)n1
InChIInChI=1S/C11H18FN3O2/c1-7(2)10-13-11(17-14-10)15-4-3-8(6-16)9(12)5-15/h7-9,16H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyJOGLYMNDAPXCNL-IUCAKERBSA-N
XLogP1.35
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,4S)-3-fluoro-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methanol 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)-3-fluoro-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methanol?
The IUPAC name of [(3R,4S)-3-fluoro-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methanol (CID 70648028) is [(3R,4S)-3-fluoro-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [(3R,4S)-3-fluoro-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methanol?
The canonical SMILES for [(3R,4S)-3-fluoro-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methanol is CC(C)c1noc(N2CC[C@@H](CO)[C@@H](F)C2)n1.
What is the InChIKey of [(3R,4S)-3-fluoro-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methanol?
The InChIKey is JOGLYMNDAPXCNL-IUCAKERBSA-N. The full InChI is InChI=1S/C11H18FN3O2/c1-7(2)10-13-11(17-14-10)15-4-3-8(6-16)9(12)5-15/h7-9,16H,3-6H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of [(3R,4S)-3-fluoro-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methanol?
[(3R,4S)-3-fluoro-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methanol has a molecular weight of 243.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-fluoro-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 70648028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).