2-fluoro-1-(1-methylpiperidin-4-yl)ethanone

C8H14FNO — CID 89171005

IUPAC2-fluoro-1-(1-methylpiperidin-4-yl)ethanone
SMILESCN1CCC(C(=O)CF)CC1
InChIInChI=1S/C8H14FNO/c1-10-4-2-7(3-5-10)8(11)6-9/h7H,2-6H2,1H3
InChIKeyLIMDJZVOQSSFPL-UHFFFAOYSA-N
MW159.20 g/mol
LogP0.87
Rot. Bonds2

About 2-fluoro-1-(1-methylpiperidin-4-yl)ethanone

2-fluoro-1-(1-methylpiperidin-4-yl)ethanone (PubChem CID 89171005) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 2-fluoro-1-(1-methylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name2-fluoro-1-(1-methylpiperidin-4-yl)ethanone
PubChem CID89171005
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name2-fluoro-1-(1-methylpiperidin-4-yl)ethanone
SMILESCN1CCC(C(=O)CF)CC1
InChIInChI=1S/C8H14FNO/c1-10-4-2-7(3-5-10)8(11)6-9/h7H,2-6H2,1H3
InChIKeyLIMDJZVOQSSFPL-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Diacetylpiperidine
CID 2777250
1-(1-Methylpiperidin-4-yl)ethan-1-one
CID 339122
1-(1,1-Dimethylpiperidin-1-ium-4-yl)ethanone
CID 13994779
1-(Tert-butyl)-4-methylpiperidin-3-one
CID 580916
1-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]ethan-1-one hydrochloride
CID 112756476
2,2,2-Trifluoro-1-(1-methylpiperidin-4-yl)ethan-1-one
CID 57674782
1-(4-Acetylpiperidin-1-yl)-2-fluoroethanone
CID 57741728
1-(4-Acetylpiperidin-1-yl)-2,2-difluoroethanone
CID 57941135
1-(4-Acetylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one
CID 57941142
1-(4-Acetylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 57941149
1-[1-(Cyclohexylmethyl)-4-fluoropiperidin-4-yl]-2-methylpropan-1-one
CID 58293912
1-(1-Acetyl-4-fluoropiperidin-4-yl)ethanone
CID 58356032

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(1-methylpiperidin-4-yl)ethanone?
The IUPAC name of 2-fluoro-1-(1-methylpiperidin-4-yl)ethanone (CID 89171005) is 2-fluoro-1-(1-methylpiperidin-4-yl)ethanone.
What is the SMILES notation for 2-fluoro-1-(1-methylpiperidin-4-yl)ethanone?
The canonical SMILES for 2-fluoro-1-(1-methylpiperidin-4-yl)ethanone is CN1CCC(C(=O)CF)CC1.
What is the InChIKey of 2-fluoro-1-(1-methylpiperidin-4-yl)ethanone?
The InChIKey is LIMDJZVOQSSFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-10-4-2-7(3-5-10)8(11)6-9/h7H,2-6H2,1H3.
What are the key properties of 2-fluoro-1-(1-methylpiperidin-4-yl)ethanone?
2-fluoro-1-(1-methylpiperidin-4-yl)ethanone has a molecular weight of 159.20 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(1-methylpiperidin-4-yl)ethanone is sourced from PubChem (CID 89171005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).