3-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyridine

C10H13FN2O — CID 129278225

IUPAC3-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyridine
SMILESF[C@@H]1CNCC[C@@H]1Oc1cccnc1
InChIInChI=1S/C10H13FN2O/c11-9-7-13-5-3-10(9)14-8-2-1-4-12-6-8/h1-2,4,6,9-10,13H,3,5,7H2/t9-,10+/m1/s1
InChIKeyCKYWWBJRWOVDPB-ZJUUUORDSA-N
MW196.22 g/mol
LogP1.16
Rot. Bonds2

About 3-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyridine

3-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyridine (PubChem CID 129278225) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 3-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name3-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyridine
PubChem CID129278225
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name3-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyridine
SMILESF[C@@H]1CNCC[C@@H]1Oc1cccnc1
InChIInChI=1S/C10H13FN2O/c11-9-7-13-5-3-10(9)14-8-2-1-4-12-6-8/h1-2,4,6,9-10,13H,3,5,7H2/t9-,10+/m1/s1
InChIKeyCKYWWBJRWOVDPB-ZJUUUORDSA-N
XLogP1.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyridine?
The IUPAC name of 3-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyridine (CID 129278225) is 3-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyridine.
What is the SMILES notation for 3-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyridine?
The canonical SMILES for 3-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyridine is F[C@@H]1CNCC[C@@H]1Oc1cccnc1.
What is the InChIKey of 3-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyridine?
The InChIKey is CKYWWBJRWOVDPB-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H13FN2O/c11-9-7-13-5-3-10(9)14-8-2-1-4-12-6-8/h1-2,4,6,9-10,13H,3,5,7H2/t9-,10+/m1/s1.
What are the key properties of 3-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyridine?
3-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyridine has a molecular weight of 196.22 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyridine is sourced from PubChem (CID 129278225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).