3,3-difluoro-4-(phenylmethoxymethyl)piperidin-2-one

C13H15F2NO2 — CID 46176677

IUPAC3,3-difluoro-4-(phenylmethoxymethyl)piperidin-2-one
SMILESO=C1NCCC(COCc2ccccc2)C1(F)F
InChIInChI=1S/C13H15F2NO2/c14-13(15)11(6-7-16-12(13)17)9-18-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,17)
InChIKeyKBADUWFVVSPVSM-UHFFFAOYSA-N
MW255.26 g/mol
LogP1.97
Rot. Bonds4

About 3,3-difluoro-4-(phenylmethoxymethyl)piperidin-2-one

3,3-difluoro-4-(phenylmethoxymethyl)piperidin-2-one (PubChem CID 46176677) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 3,3-difluoro-4-(phenylmethoxymethyl)piperidin-2-one.

Molecular Properties

Compound Name3,3-difluoro-4-(phenylmethoxymethyl)piperidin-2-one
PubChem CID46176677
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name3,3-difluoro-4-(phenylmethoxymethyl)piperidin-2-one
SMILESO=C1NCCC(COCc2ccccc2)C1(F)F
InChIInChI=1S/C13H15F2NO2/c14-13(15)11(6-7-16-12(13)17)9-18-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,17)
InChIKeyKBADUWFVVSPVSM-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(phenylmethoxymethyl)piperidin-2-one
CID 102941255
(2S)-2-(phenylmethoxymethyl)azetidine
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CID 69212263
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
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4-(phenylmethoxymethyl)pyrrolidin-2-one
CID 105457555
3-(phenylmethoxymethyl)cyclobutan-1-one
CID 11819850
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
cis-(1S,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropane-1-carbaldehyde
CID 90322673
(2R)-2-(phenylmethoxymethyl)aziridine
CID 101263543
[(1S,5S)-3-(difluoromethylidene)-2,2-difluoro-5-phenylmethoxycyclohexyl]methoxymethylbenzene
CID 143047032
5-(phenylmethoxymethyl)cyclooctan-1-one
CID 10900938
(5R,7R)-8,9-dihydroxy-7-(phenylmethoxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 134845448

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-(phenylmethoxymethyl)piperidin-2-one?
The IUPAC name of 3,3-difluoro-4-(phenylmethoxymethyl)piperidin-2-one (CID 46176677) is 3,3-difluoro-4-(phenylmethoxymethyl)piperidin-2-one.
What is the SMILES notation for 3,3-difluoro-4-(phenylmethoxymethyl)piperidin-2-one?
The canonical SMILES for 3,3-difluoro-4-(phenylmethoxymethyl)piperidin-2-one is O=C1NCCC(COCc2ccccc2)C1(F)F.
What is the InChIKey of 3,3-difluoro-4-(phenylmethoxymethyl)piperidin-2-one?
The InChIKey is KBADUWFVVSPVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c14-13(15)11(6-7-16-12(13)17)9-18-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,17).
What are the key properties of 3,3-difluoro-4-(phenylmethoxymethyl)piperidin-2-one?
3,3-difluoro-4-(phenylmethoxymethyl)piperidin-2-one has a molecular weight of 255.26 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-(phenylmethoxymethyl)piperidin-2-one is sourced from PubChem (CID 46176677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).