2,2-difluoro-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone

C9H16F2N2O — CID 103514142

IUPAC2,2-difluoro-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone
SMILESCNCC1CCCCN1C(=O)C(F)F
InChIInChI=1S/C9H16F2N2O/c1-12-6-7-4-2-3-5-13(7)9(14)8(10)11/h7-8,12H,2-6H2,1H3
InChIKeyXGYXQXNPZOCLAZ-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.85
Rot. Bonds3

About 2,2-difluoro-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone

2,2-difluoro-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone (PubChem CID 103514142) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 2,2-difluoro-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone
PubChem CID103514142
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name2,2-difluoro-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone
SMILESCNCC1CCCCN1C(=O)C(F)F
InChIInChI=1S/C9H16F2N2O/c1-12-6-7-4-2-3-5-13(7)9(14)8(10)11/h7-8,12H,2-6H2,1H3
InChIKeyXGYXQXNPZOCLAZ-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 95037259
1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-difluoroethanone
CID 103840913
1-[1-(2,2-difluoroacetyl)azepan-2-yl]propan-2-one
CID 103513810
1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 66569273
2-methoxy-2-methyl-1-[2-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 103021432
3-methyl-1-[2-(methylaminomethyl)piperidin-1-yl]but-2-en-1-one
CID 63249341
3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 63249773
2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81425480
N-cyclopentyl-2-(methylaminomethyl)pyrrolidine-1-carboxamide
CID 115316412
N-[[1-[2-methyl-3-(methylamino)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 79202830
cyclopent-3-en-1-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 115316381
3,3,3-trifluoro-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 81484577

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2,2-difluoro-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone (CID 103514142) is 2,2-difluoro-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2-difluoro-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2,2-difluoro-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone is CNCC1CCCCN1C(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone?
The InChIKey is XGYXQXNPZOCLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-12-6-7-4-2-3-5-13(7)9(14)8(10)11/h7-8,12H,2-6H2,1H3.
What are the key properties of 2,2-difluoro-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone?
2,2-difluoro-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone has a molecular weight of 206.24 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 103514142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).