(2,3-difluoro-4-pyridinyl)-(2,6-dimethylpiperidin-1-yl)methanone

C13H16F2N2O — CID 105380192

IUPAC(2,3-difluoro-4-pyridinyl)-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1ccnc(F)c1F
InChIInChI=1S/C13H16F2N2O/c1-8-4-3-5-9(2)17(8)13(18)10-6-7-16-12(15)11(10)14/h6-9H,3-5H2,1-2H3
InChIKeyUFGLTCGUFZJLOK-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.76
Rot. Bonds1

About (2,3-difluoro-4-pyridinyl)-(2,6-dimethylpiperidin-1-yl)methanone

(2,3-difluoro-4-pyridinyl)-(2,6-dimethylpiperidin-1-yl)methanone (PubChem CID 105380192) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is (2,3-difluoro-4-pyridinyl)-(2,6-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-difluoro-4-pyridinyl)-(2,6-dimethylpiperidin-1-yl)methanone
PubChem CID105380192
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name(2,3-difluoro-4-pyridinyl)-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1ccnc(F)c1F
InChIInChI=1S/C13H16F2N2O/c1-8-4-3-5-9(2)17(8)13(18)10-6-7-16-12(15)11(10)14/h6-9H,3-5H2,1-2H3
InChIKeyUFGLTCGUFZJLOK-UHFFFAOYSA-N
XLogP2.76
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.76
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

[(2S,6R)-2,6-dimethylpiperidin-1-yl]-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105387710
(3-bromo-2-fluorophenyl)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 106547486
(2,3-difluoro-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 105380117
(2,6-dimethylpiperidin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 79883718
(2-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 103755683
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2,3-difluoro-4-pyridinyl)methanone
CID 105381490
(2-chloro-4,5-difluorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 600139
(2,3-difluoro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 105381176
2,3-difluoro-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 105380359
N-[1-(2,3-difluoropyridine-4-carbonyl)piperidin-3-yl]acetamide
CID 105380881
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
CID 103820381
N-(cyclobutylmethyl)-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105381168

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-pyridinyl)-(2,6-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (2,3-difluoro-4-pyridinyl)-(2,6-dimethylpiperidin-1-yl)methanone (CID 105380192) is (2,3-difluoro-4-pyridinyl)-(2,6-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,3-difluoro-4-pyridinyl)-(2,6-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (2,3-difluoro-4-pyridinyl)-(2,6-dimethylpiperidin-1-yl)methanone is CC1CCCC(C)N1C(=O)c1ccnc(F)c1F.
What is the InChIKey of (2,3-difluoro-4-pyridinyl)-(2,6-dimethylpiperidin-1-yl)methanone?
The InChIKey is UFGLTCGUFZJLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-8-4-3-5-9(2)17(8)13(18)10-6-7-16-12(15)11(10)14/h6-9H,3-5H2,1-2H3.
What are the key properties of (2,3-difluoro-4-pyridinyl)-(2,6-dimethylpiperidin-1-yl)methanone?
(2,3-difluoro-4-pyridinyl)-(2,6-dimethylpiperidin-1-yl)methanone has a molecular weight of 254.28 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-pyridinyl)-(2,6-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 105380192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).