(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-piperidin-1-ylmethanone

C11H17FN2O — CID 166214944

IUPAC(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1CCC=C(F)C1
InChIInChI=1S/C11H17FN2O/c12-10-5-4-8-14(9-10)11(15)13-6-2-1-3-7-13/h5H,1-4,6-9H2
InChIKeyLYZNVKLBXLINIK-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.15
Rot. Bonds

About (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-piperidin-1-ylmethanone

(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-piperidin-1-ylmethanone (PubChem CID 166214944) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-piperidin-1-ylmethanone
PubChem CID166214944
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1CCC=C(F)C1
InChIInChI=1S/C11H17FN2O/c12-10-5-4-8-14(9-10)11(15)13-6-2-1-3-7-13/h5H,1-4,6-9H2
InChIKeyLYZNVKLBXLINIK-UHFFFAOYSA-N
XLogP2.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone
CID 106313552
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 126774144
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-pyridin-2-ylmethanone
CID 154752021
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 126787976
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(3-methyl-1,2-thiazol-4-yl)methanone
CID 125137359
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-hydroxy-6-iodo-3-pyridinyl)methanone
CID 127266155
5-fluoro-N-(spiro[2.2]pentan-2-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 126790764
azepan-1-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 116656264
1-methyl-4-(pyrrolidine-1-carbonyl)-1,4-diazepan-2-one
CID 102847763
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-1-ylmethanone
CID 78945026
(3,4-dihydroxypyrrolidin-1-yl)-pyrrolidin-1-ylmethanone
CID 106668555
azepan-1-yl(thiomorpholin-4-yl)methanone
CID 116654024

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-piperidin-1-ylmethanone?
The IUPAC name of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-piperidin-1-ylmethanone (CID 166214944) is (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-piperidin-1-ylmethanone is O=C(N1CCCCC1)N1CCC=C(F)C1.
What is the InChIKey of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-piperidin-1-ylmethanone?
The InChIKey is LYZNVKLBXLINIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c12-10-5-4-8-14(9-10)11(15)13-6-2-1-3-7-13/h5H,1-4,6-9H2.
What are the key properties of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-piperidin-1-ylmethanone?
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-piperidin-1-ylmethanone has a molecular weight of 212.27 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 166214944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).