1-(4-ethylpiperidin-1-yl)-2-fluoro-2-methylpropan-1-one

C11H20FNO — CID 90457720

IUPAC1-(4-ethylpiperidin-1-yl)-2-fluoro-2-methylpropan-1-one
SMILESCCC1CCN(C(=O)C(C)(C)F)CC1
InChIInChI=1S/C11H20FNO/c1-4-9-5-7-13(8-6-9)10(14)11(2,3)12/h9H,4-8H2,1-3H3
InChIKeyOUUSUPGAGMWHNN-UHFFFAOYSA-N
MW201.28 g/mol
LogP2.38
Rot. Bonds2

About 1-(4-ethylpiperidin-1-yl)-2-fluoro-2-methylpropan-1-one

1-(4-ethylpiperidin-1-yl)-2-fluoro-2-methylpropan-1-one (PubChem CID 90457720) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 1-(4-ethylpiperidin-1-yl)-2-fluoro-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperidin-1-yl)-2-fluoro-2-methylpropan-1-one
PubChem CID90457720
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name1-(4-ethylpiperidin-1-yl)-2-fluoro-2-methylpropan-1-one
SMILESCCC1CCN(C(=O)C(C)(C)F)CC1
InChIInChI=1S/C11H20FNO/c1-4-9-5-7-13(8-6-9)10(14)11(2,3)12/h9H,4-8H2,1-3H3
InChIKeyOUUSUPGAGMWHNN-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperidin-1-yl)-2-fluoro-2-methylpropan-1-one?
The IUPAC name of 1-(4-ethylpiperidin-1-yl)-2-fluoro-2-methylpropan-1-one (CID 90457720) is 1-(4-ethylpiperidin-1-yl)-2-fluoro-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-ethylpiperidin-1-yl)-2-fluoro-2-methylpropan-1-one?
The canonical SMILES for 1-(4-ethylpiperidin-1-yl)-2-fluoro-2-methylpropan-1-one is CCC1CCN(C(=O)C(C)(C)F)CC1.
What is the InChIKey of 1-(4-ethylpiperidin-1-yl)-2-fluoro-2-methylpropan-1-one?
The InChIKey is OUUSUPGAGMWHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-4-9-5-7-13(8-6-9)10(14)11(2,3)12/h9H,4-8H2,1-3H3.
What are the key properties of 1-(4-ethylpiperidin-1-yl)-2-fluoro-2-methylpropan-1-one?
1-(4-ethylpiperidin-1-yl)-2-fluoro-2-methylpropan-1-one has a molecular weight of 201.28 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperidin-1-yl)-2-fluoro-2-methylpropan-1-one is sourced from PubChem (CID 90457720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).