(4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone

C13H16F2N2O — CID 77094058

IUPAC(4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone
SMILESCc1cc(C(=O)N2CCC(F)(F)CC2)cc(C)n1
InChIInChI=1S/C13H16F2N2O/c1-9-7-11(8-10(2)16-9)12(18)17-5-3-13(14,15)4-6-17/h7-8H,3-6H2,1-2H3
InChIKeyXBWMUHFKDZXLCP-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.57
Rot. Bonds1

About (4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone

(4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone (PubChem CID 77094058) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone
PubChem CID77094058
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name(4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone
SMILESCc1cc(C(=O)N2CCC(F)(F)CC2)cc(C)n1
InChIInChI=1S/C13H16F2N2O/c1-9-7-11(8-10(2)16-9)12(18)17-5-3-13(14,15)4-6-17/h7-8H,3-6H2,1-2H3
InChIKeyXBWMUHFKDZXLCP-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-fluoro-4-methylphenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 176513315
(4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone
CID 168987947
(4,4-difluoropiperidin-1-yl)-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone
CID 70734580
(2,6-dimethyl-4-pyridinyl)-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 99930019
3-amino-5-(4,4-difluoropiperidine-1-carbonyl)benzamide
CID 171662837
[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone
CID 99931569
(2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 155245200
(4,4-difluoropiperidin-1-yl)-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;ethane
CID 156811391
(2-amino-6-methyl-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358238
(4,4-difluoropiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone
CID 165436193
(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 155975803
8-(2,6-dimethylpyridine-4-carbonyl)-1-(2-methylpropyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166615547

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone (CID 77094058) is (4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone is Cc1cc(C(=O)N2CCC(F)(F)CC2)cc(C)n1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone?
The InChIKey is XBWMUHFKDZXLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-9-7-11(8-10(2)16-9)12(18)17-5-3-13(14,15)4-6-17/h7-8H,3-6H2,1-2H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone?
(4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone has a molecular weight of 254.28 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone is sourced from PubChem (CID 77094058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).