1-[3-(1-fluoroethyl)-4,5-dihydroxypiperidin-1-yl]ethanone

C9H16FNO3 — CID 123152027

IUPAC1-[3-(1-fluoroethyl)-4,5-dihydroxypiperidin-1-yl]ethanone
SMILESCC(=O)N1CC(O)C(O)C(C(C)F)C1
InChIInChI=1S/C9H16FNO3/c1-5(10)7-3-11(6(2)12)4-8(13)9(7)14/h5,7-9,13-14H,3-4H2,1-2H3
InChIKeyBAHZMJMRYFNLAW-UHFFFAOYSA-N
MW205.23 g/mol
LogP-0.46
Rot. Bonds1

About 1-[3-(1-fluoroethyl)-4,5-dihydroxypiperidin-1-yl]ethanone

1-[3-(1-fluoroethyl)-4,5-dihydroxypiperidin-1-yl]ethanone (PubChem CID 123152027) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is 1-[3-(1-fluoroethyl)-4,5-dihydroxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(1-fluoroethyl)-4,5-dihydroxypiperidin-1-yl]ethanone
PubChem CID123152027
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Name1-[3-(1-fluoroethyl)-4,5-dihydroxypiperidin-1-yl]ethanone
SMILESCC(=O)N1CC(O)C(O)C(C(C)F)C1
InChIInChI=1S/C9H16FNO3/c1-5(10)7-3-11(6(2)12)4-8(13)9(7)14/h5,7-9,13-14H,3-4H2,1-2H3
InChIKeyBAHZMJMRYFNLAW-UHFFFAOYSA-N
XLogP-0.46
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-[3-(Difluoromethyl)-4,5-dihydroxypiperidin-1-yl]pentan-1-one
CID 75631485
1-[3-(Difluoromethyl)-4,5-dihydroxypiperidin-1-yl]ethanone
CID 75631746
1-[3-(Difluoromethyl)-5-hydroxypiperidin-1-yl]ethanone
CID 126716024
1-[(4R,5R)-3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]ethanone
CID 134386633
1-[(4R,5R)-3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]pentan-1-one
CID 134386658
1-[(3R,5S)-3-(difluoromethyl)-5-hydroxypiperidin-1-yl]ethanone
CID 135264754
1-[(3S,4R)-3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]pentan-1-one
CID 153672797
1-(4-Fluoro-3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 156077405
2,2-Difluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 103514026
2,2,2-Trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 103900578

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-fluoroethyl)-4,5-dihydroxypiperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(1-fluoroethyl)-4,5-dihydroxypiperidin-1-yl]ethanone (CID 123152027) is 1-[3-(1-fluoroethyl)-4,5-dihydroxypiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(1-fluoroethyl)-4,5-dihydroxypiperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(1-fluoroethyl)-4,5-dihydroxypiperidin-1-yl]ethanone is CC(=O)N1CC(O)C(O)C(C(C)F)C1.
What is the InChIKey of 1-[3-(1-fluoroethyl)-4,5-dihydroxypiperidin-1-yl]ethanone?
The InChIKey is BAHZMJMRYFNLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO3/c1-5(10)7-3-11(6(2)12)4-8(13)9(7)14/h5,7-9,13-14H,3-4H2,1-2H3.
What are the key properties of 1-[3-(1-fluoroethyl)-4,5-dihydroxypiperidin-1-yl]ethanone?
1-[3-(1-fluoroethyl)-4,5-dihydroxypiperidin-1-yl]ethanone has a molecular weight of 205.23 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-fluoroethyl)-4,5-dihydroxypiperidin-1-yl]ethanone is sourced from PubChem (CID 123152027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).