1-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]ethanone

C12H14F2N2O — CID 169266288

IUPAC1-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C12H14F2N2O/c1-9(17)10-3-2-4-11(15-10)16-7-5-12(13,14)6-8-16/h2-4H,5-8H2,1H3
InChIKeyDDIUKFHHODVWMV-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.52
Rot. Bonds2

About 1-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]ethanone

1-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]ethanone (PubChem CID 169266288) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]ethanone
PubChem CID169266288
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name1-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C12H14F2N2O/c1-9(17)10-3-2-4-11(15-10)16-7-5-12(13,14)6-8-16/h2-4H,5-8H2,1H3
InChIKeyDDIUKFHHODVWMV-UHFFFAOYSA-N
XLogP2.52
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(6-acetyl-2-pyridinyl)piperazine-1-carboxylate
CID 168933947
2-(4,4-difluoropiperidin-1-yl)-6-methoxypyridine
CID 169116672
6-(4,4-dimethylazepan-1-yl)pyridine-2-carboxylic acid
CID 65283066
2-(4,4-difluoropiperidin-1-yl)-6-nitropyridine
CID 170943771
2-methyl-1-(6-pyrrolidin-1-yl-2-pyridinyl)propan-1-one
CID 83888265
6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-2-carboxylic acid
CID 122057283
6-(4-methoxy-4-methylazepan-1-yl)pyridine-2-carboxylic acid
CID 122051945
6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 103496539
6-(azepan-1-yl)pyridine-2-carboxamide
CID 173077887
6-(4,4-diethylpiperidin-1-yl)pyridine-2-carboximidamide
CID 64596347
N-[1-(6-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]acetamide
CID 19694928
methyl 6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine-2-carboxylate
CID 169238594

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]ethanone (CID 169266288) is 1-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]ethanone is CC(=O)c1cccc(N2CCC(F)(F)CC2)n1.
What is the InChIKey of 1-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]ethanone?
The InChIKey is DDIUKFHHODVWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-9(17)10-3-2-4-11(15-10)16-7-5-12(13,14)6-8-16/h2-4H,5-8H2,1H3.
What are the key properties of 1-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]ethanone?
1-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]ethanone has a molecular weight of 240.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]ethanone is sourced from PubChem (CID 169266288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).