(5-fluoro-3-pyridinyl)-piperidin-4-ylmethanone

C11H13FN2O — CID 67993080

IUPAC(5-fluoro-3-pyridinyl)-piperidin-4-ylmethanone
SMILESO=C(c1cncc(F)c1)C1CCNCC1
InChIInChI=1S/C11H13FN2O/c12-10-5-9(6-14-7-10)11(15)8-1-3-13-4-2-8/h5-8,13H,1-4H2
InChIKeyCWLRDEDVIBRRLC-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.40
Rot. Bonds2

About (5-fluoro-3-pyridinyl)-piperidin-4-ylmethanone

(5-fluoro-3-pyridinyl)-piperidin-4-ylmethanone (PubChem CID 67993080) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)-piperidin-4-ylmethanone
PubChem CID67993080
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name(5-fluoro-3-pyridinyl)-piperidin-4-ylmethanone
SMILESO=C(c1cncc(F)c1)C1CCNCC1
InChIInChI=1S/C11H13FN2O/c12-10-5-9(6-14-7-10)11(15)8-1-3-13-4-2-8/h5-8,13H,1-4H2
InChIKeyCWLRDEDVIBRRLC-UHFFFAOYSA-N
XLogP1.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)-piperidin-4-ylmethanone?
The IUPAC name of (5-fluoro-3-pyridinyl)-piperidin-4-ylmethanone (CID 67993080) is (5-fluoro-3-pyridinyl)-piperidin-4-ylmethanone.
What is the SMILES notation for (5-fluoro-3-pyridinyl)-piperidin-4-ylmethanone?
The canonical SMILES for (5-fluoro-3-pyridinyl)-piperidin-4-ylmethanone is O=C(c1cncc(F)c1)C1CCNCC1.
What is the InChIKey of (5-fluoro-3-pyridinyl)-piperidin-4-ylmethanone?
The InChIKey is CWLRDEDVIBRRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c12-10-5-9(6-14-7-10)11(15)8-1-3-13-4-2-8/h5-8,13H,1-4H2.
What are the key properties of (5-fluoro-3-pyridinyl)-piperidin-4-ylmethanone?
(5-fluoro-3-pyridinyl)-piperidin-4-ylmethanone has a molecular weight of 208.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)-piperidin-4-ylmethanone is sourced from PubChem (CID 67993080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).