1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]pentan-1-one

C11H19F2NO3 — CID 75631485

IUPAC1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CC(O)C(O)C(C(F)F)C1
InChIInChI=1S/C11H19F2NO3/c1-2-3-4-9(16)14-5-7(11(12)13)10(17)8(15)6-14/h7-8,10-11,15,17H,2-6H2,1H3
InChIKeyYYULLGANQITQJB-UHFFFAOYSA-N
MW251.27 g/mol
LogP0.62
Rot. Bonds4

About 1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]pentan-1-one

1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]pentan-1-one (PubChem CID 75631485) has the molecular formula C11H19F2NO3 and a molecular weight of 251.27 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]pentan-1-one
PubChem CID75631485
Molecular FormulaC11H19F2NO3
Molecular Weight251.27 g/mol
Exact Mass251.13
IUPAC Name1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CC(O)C(O)C(C(F)F)C1
InChIInChI=1S/C11H19F2NO3/c1-2-3-4-9(16)14-5-7(11(12)13)10(17)8(15)6-14/h7-8,10-11,15,17H,2-6H2,1H3
InChIKeyYYULLGANQITQJB-UHFFFAOYSA-N
XLogP0.62
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-1-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]pentan-1-one
CID 75507490
3,3-difluoro-1-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]butan-1-one
CID 126790798
(3R,4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol
CID 51356490
1-((3S,4R,5R)-3-(Difluoromethyl)-4,5-dihydroxypiperidine-1-yl)pentane-1-one
CID 51356754
1-[(3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]ethanone
CID 51357309
methyl (3R,4R,5S)-3,4-dihydroxy-5-(trifluoromethyl)piperidine-1-carboxylate
CID 58225274
1-[4-(2,2,2-Trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 67402368
methyl (3R,4R)-3,4-dihydroxy-5-(trifluoromethyl)piperidine-1-carboxylate
CID 71100165
Butyl-5-(difluoromethyl)piperidine 3,4-diol
CID 75631375
1-[3-(Difluoromethyl)-4,5-dihydroxypiperidin-1-yl]ethanone
CID 75631746
1-[3-(1-Fluoroethyl)-4,5-dihydroxypiperidin-1-yl]ethanone
CID 123152027
1-[3-(Difluoromethyl)-5-hydroxypiperidin-1-yl]ethanone
CID 126716024

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]pentan-1-one?
The IUPAC name of 1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]pentan-1-one (CID 75631485) is 1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]pentan-1-one?
The canonical SMILES for 1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]pentan-1-one is CCCCC(=O)N1CC(O)C(O)C(C(F)F)C1.
What is the InChIKey of 1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]pentan-1-one?
The InChIKey is YYULLGANQITQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO3/c1-2-3-4-9(16)14-5-7(11(12)13)10(17)8(15)6-14/h7-8,10-11,15,17H,2-6H2,1H3.
What are the key properties of 1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]pentan-1-one?
1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]pentan-1-one has a molecular weight of 251.27 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]pentan-1-one is sourced from PubChem (CID 75631485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).