(2,6-dimethylpiperidin-1-yl)-(6-fluoro-2-pyridinyl)methanone

C13H17FN2O — CID 115496620

IUPAC(2,6-dimethylpiperidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
SMILESCC1CCCC(C)N1C(=O)c1cccc(F)n1
InChIInChI=1S/C13H17FN2O/c1-9-5-3-6-10(2)16(9)13(17)11-7-4-8-12(14)15-11/h4,7-10H,3,5-6H2,1-2H3
InChIKeyGJKBWJSDPZMMME-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.62
Rot. Bonds1

About (2,6-dimethylpiperidin-1-yl)-(6-fluoro-2-pyridinyl)methanone

(2,6-dimethylpiperidin-1-yl)-(6-fluoro-2-pyridinyl)methanone (PubChem CID 115496620) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-(6-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
PubChem CID115496620
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name(2,6-dimethylpiperidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
SMILESCC1CCCC(C)N1C(=O)c1cccc(F)n1
InChIInChI=1S/C13H17FN2O/c1-9-5-3-6-10(2)16(9)13(17)11-7-4-8-12(14)15-11/h4,7-10H,3,5-6H2,1-2H3
InChIKeyGJKBWJSDPZMMME-UHFFFAOYSA-N
XLogP2.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-ethyl-5-methylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
CID 83174368
(6-fluoro-2-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 115497894
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-2-pyridinyl)methanone
CID 115498100
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(6-fluoro-2-pyridinyl)methanone
CID 113323386
(6-fluoro-2-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115497554
[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 129377323
1-[(2S)-1-(6-fluoropyridine-2-carbonyl)pyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 58533268
(6-fluoro-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 113323326
(3-bromo-2-fluorophenyl)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 106547486
(6-fluoro-2-pyridinyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 115497671
(6-fluoro-2-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114592943
(2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
CID 115497518

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-(6-fluoro-2-pyridinyl)methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-(6-fluoro-2-pyridinyl)methanone (CID 115496620) is (2,6-dimethylpiperidin-1-yl)-(6-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-(6-fluoro-2-pyridinyl)methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-(6-fluoro-2-pyridinyl)methanone is CC1CCCC(C)N1C(=O)c1cccc(F)n1.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-(6-fluoro-2-pyridinyl)methanone?
The InChIKey is GJKBWJSDPZMMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9-5-3-6-10(2)16(9)13(17)11-7-4-8-12(14)15-11/h4,7-10H,3,5-6H2,1-2H3.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-(6-fluoro-2-pyridinyl)methanone?
(2,6-dimethylpiperidin-1-yl)-(6-fluoro-2-pyridinyl)methanone has a molecular weight of 236.29 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-(6-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 115496620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).