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

C8H14FNO — CID 45080727

IUPAC2-fluoro-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CF)CC1
InChIInChI=1S/C8H14FNO/c1-7-2-4-10(5-3-7)8(11)6-9/h7H,2-6H2,1H3
InChIKeyJITDGAVKIIAAMP-UHFFFAOYSA-N
MW159.20 g/mol
LogP1.21
Rot. Bonds1

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

2-fluoro-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 45080727) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 2-fluoro-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-fluoro-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID45080727
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name2-fluoro-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CF)CC1
InChIInChI=1S/C8H14FNO/c1-7-2-4-10(5-3-7)8(11)6-9/h7H,2-6H2,1H3
InChIKeyJITDGAVKIIAAMP-UHFFFAOYSA-N
XLogP1.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-fluoro-1-(4-methylpiperidin-1-yl)ethanone (CID 45080727) is 2-fluoro-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-fluoro-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-fluoro-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CF)CC1.
What is the InChIKey of 2-fluoro-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is JITDGAVKIIAAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-7-2-4-10(5-3-7)8(11)6-9/h7H,2-6H2,1H3.
What are the key properties of 2-fluoro-1-(4-methylpiperidin-1-yl)ethanone?
2-fluoro-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 159.20 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 45080727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).