1-(3-fluoro-3,4-dimethylpiperidin-1-yl)-2-hydroxyethanone

C9H16FNO2 — CID 178000805

IUPAC1-(3-fluoro-3,4-dimethylpiperidin-1-yl)-2-hydroxyethanone
SMILESCC1CCN(C(=O)CO)CC1(C)F
InChIInChI=1S/C9H16FNO2/c1-7-3-4-11(8(13)5-12)6-9(7,2)10/h7,12H,3-6H2,1-2H3
InChIKeyQPFMFQPLFGMLRN-UHFFFAOYSA-N
MW189.23 g/mol
LogP0.58
Rot. Bonds1

About 1-(3-fluoro-3,4-dimethylpiperidin-1-yl)-2-hydroxyethanone

1-(3-fluoro-3,4-dimethylpiperidin-1-yl)-2-hydroxyethanone (PubChem CID 178000805) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 1-(3-fluoro-3,4-dimethylpiperidin-1-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(3-fluoro-3,4-dimethylpiperidin-1-yl)-2-hydroxyethanone
PubChem CID178000805
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name1-(3-fluoro-3,4-dimethylpiperidin-1-yl)-2-hydroxyethanone
SMILESCC1CCN(C(=O)CO)CC1(C)F
InChIInChI=1S/C9H16FNO2/c1-7-3-4-11(8(13)5-12)6-9(7,2)10/h7,12H,3-6H2,1-2H3
InChIKeyQPFMFQPLFGMLRN-UHFFFAOYSA-N
XLogP0.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxy-1-(3-methylpiperidin-1-yl)ethan-1-one
CID 16769354
(2R)-1-(4-butan-2-yl-4-fluoropiperidin-1-yl)-2-hydroxypropan-1-one
CID 89796450
3,3,3-Trifluoro-2-hydroxy-1-(4-methylpiperidin-1-yl)propan-1-one
CID 89935849
(2R)-1-(4-fluoro-4-propan-2-ylpiperidin-1-yl)-2-hydroxypropan-1-one
CID 89970284
1-(4-Tert-butylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one
CID 118084461
1-(5-Fluoro-4-methoxy-3,3-dimethylpiperidin-1-yl)-2-hydroxyethanone
CID 121265234
1-[(4S,5R)-5-fluoro-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-hydroxyethanone
CID 121265341
1-[(4R,5S)-5-fluoro-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-hydroxyethanone
CID 121265347
3,3,3-Trifluoro-2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 123148937
1-(3,3-Difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone
CID 130733246
1-[(4R)-5-fluoro-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-hydroxyethanone
CID 139353845
1-(3,3-Difluoropiperidin-1-yl)-2-hydroxyethanone;propane
CID 142561958

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-3,4-dimethylpiperidin-1-yl)-2-hydroxyethanone?
The IUPAC name of 1-(3-fluoro-3,4-dimethylpiperidin-1-yl)-2-hydroxyethanone (CID 178000805) is 1-(3-fluoro-3,4-dimethylpiperidin-1-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(3-fluoro-3,4-dimethylpiperidin-1-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(3-fluoro-3,4-dimethylpiperidin-1-yl)-2-hydroxyethanone is CC1CCN(C(=O)CO)CC1(C)F.
What is the InChIKey of 1-(3-fluoro-3,4-dimethylpiperidin-1-yl)-2-hydroxyethanone?
The InChIKey is QPFMFQPLFGMLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-7-3-4-11(8(13)5-12)6-9(7,2)10/h7,12H,3-6H2,1-2H3.
What are the key properties of 1-(3-fluoro-3,4-dimethylpiperidin-1-yl)-2-hydroxyethanone?
1-(3-fluoro-3,4-dimethylpiperidin-1-yl)-2-hydroxyethanone has a molecular weight of 189.23 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-3,4-dimethylpiperidin-1-yl)-2-hydroxyethanone is sourced from PubChem (CID 178000805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).