1-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one

C13H23F2NO — CID 168727130

IUPAC1-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)C1CCN(C(=O)C(C)(C)C)CC1(F)F
InChIInChI=1S/C13H23F2NO/c1-9(2)10-6-7-16(8-13(10,14)15)11(17)12(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyFBPAMEHHECXNKI-UHFFFAOYSA-N
MW247.33 g/mol
LogP3.17
Rot. Bonds1

About 1-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one

1-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one (PubChem CID 168727130) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 1-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one
PubChem CID168727130
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name1-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)C1CCN(C(=O)C(C)(C)C)CC1(F)F
InChIInChI=1S/C13H23F2NO/c1-9(2)10-6-7-16(8-13(10,14)15)11(17)12(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyFBPAMEHHECXNKI-UHFFFAOYSA-N
XLogP3.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(5R)-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 125182142
2,2,2-Trifluoro-1-(cis-3-fluoro-4,5-dimethylpiperidin-1-yl)ethan-1-one
CID 134827889
2,2,2-Trifluoro-1-(cis-3-fluoro-5-methylpiperidin-1-yl)ethan-1-one
CID 134827930
1-(4-Cyclopropylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 126750056
2-Fluoro-1-(4-methylpiperidin-1-yl)ethanone
CID 45080727
2,2,2-Trifluoro-1-(4-fluoro-4-methylpiperidin-1-yl)ethanone
CID 101850279
1-(cis-4-Butyl-3-fluoropiperidin-1-yl)-2,2,2-trifluoroethan-1-one
CID 134827892
1-(cis-3,5-Difluoro-4-methylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one
CID 134827912
2,2,2-Trifluoro-1-(cis-4-fluoro-3-methylpiperidin-1-yl)ethan-1-one
CID 134827923
2,2,2-Trifluoro-1-(cis-3-fluoro-4-methylpiperidin-1-yl)ethan-1-one
CID 134827931
2,2,2-trifluoro-1-[(3S,5R)-3-fluoro-5-methylpiperidin-1-yl]ethanone
CID 177853588
1-[3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperidine
CID 4668324

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one (CID 168727130) is 1-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one is CC(C)C1CCN(C(=O)C(C)(C)C)CC1(F)F.
What is the InChIKey of 1-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one?
The InChIKey is FBPAMEHHECXNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-9(2)10-6-7-16(8-13(10,14)15)11(17)12(3,4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 1-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one?
1-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one has a molecular weight of 247.33 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 168727130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).