1-(4-tert-butyl-4-fluoropiperidin-1-yl)ethanone

C11H20FNO — CID 146926429

IUPAC1-(4-tert-butyl-4-fluoropiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(F)(C(C)(C)C)CC1
InChIInChI=1S/C11H20FNO/c1-9(14)13-7-5-11(12,6-8-13)10(2,3)4/h5-8H2,1-4H3
InChIKeyAEDXYJYVYWNKGR-UHFFFAOYSA-N
MW201.28 g/mol
LogP2.38
Rot. Bonds

About 1-(4-tert-butyl-4-fluoropiperidin-1-yl)ethanone

1-(4-tert-butyl-4-fluoropiperidin-1-yl)ethanone (PubChem CID 146926429) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 1-(4-tert-butyl-4-fluoropiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-tert-butyl-4-fluoropiperidin-1-yl)ethanone
PubChem CID146926429
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name1-(4-tert-butyl-4-fluoropiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(F)(C(C)(C)C)CC1
InChIInChI=1S/C11H20FNO/c1-9(14)13-7-5-11(12,6-8-13)10(2,3)4/h5-8H2,1-4H3
InChIKeyAEDXYJYVYWNKGR-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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-tert-butyl-4-fluoropiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-tert-butyl-4-fluoropiperidin-1-yl)ethanone (CID 146926429) is 1-(4-tert-butyl-4-fluoropiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-tert-butyl-4-fluoropiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-tert-butyl-4-fluoropiperidin-1-yl)ethanone is CC(=O)N1CCC(F)(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butyl-4-fluoropiperidin-1-yl)ethanone?
The InChIKey is AEDXYJYVYWNKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-9(14)13-7-5-11(12,6-8-13)10(2,3)4/h5-8H2,1-4H3.
What are the key properties of 1-(4-tert-butyl-4-fluoropiperidin-1-yl)ethanone?
1-(4-tert-butyl-4-fluoropiperidin-1-yl)ethanone has a molecular weight of 201.28 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-4-fluoropiperidin-1-yl)ethanone is sourced from PubChem (CID 146926429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).