1-(2-tert-butyl-5-fluoro-5-methylpiperidin-1-yl)ethanone

C12H22FNO — CID 170179080

IUPAC1-(2-tert-butyl-5-fluoro-5-methylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CC(C)(F)CCC1C(C)(C)C
InChIInChI=1S/C12H22FNO/c1-9(15)14-8-12(5,13)7-6-10(14)11(2,3)4/h10H,6-8H2,1-5H3
InChIKeyISDCGVBAICAJDA-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.77
Rot. Bonds

About 1-(2-tert-butyl-5-fluoro-5-methylpiperidin-1-yl)ethanone

1-(2-tert-butyl-5-fluoro-5-methylpiperidin-1-yl)ethanone (PubChem CID 170179080) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 1-(2-tert-butyl-5-fluoro-5-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-tert-butyl-5-fluoro-5-methylpiperidin-1-yl)ethanone
PubChem CID170179080
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name1-(2-tert-butyl-5-fluoro-5-methylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CC(C)(F)CCC1C(C)(C)C
InChIInChI=1S/C12H22FNO/c1-9(15)14-8-12(5,13)7-6-10(14)11(2,3)4/h10H,6-8H2,1-5H3
InChIKeyISDCGVBAICAJDA-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-5-fluoro-5-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2-tert-butyl-5-fluoro-5-methylpiperidin-1-yl)ethanone (CID 170179080) is 1-(2-tert-butyl-5-fluoro-5-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-tert-butyl-5-fluoro-5-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2-tert-butyl-5-fluoro-5-methylpiperidin-1-yl)ethanone is CC(=O)N1CC(C)(F)CCC1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butyl-5-fluoro-5-methylpiperidin-1-yl)ethanone?
The InChIKey is ISDCGVBAICAJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-9(15)14-8-12(5,13)7-6-10(14)11(2,3)4/h10H,6-8H2,1-5H3.
What are the key properties of 1-(2-tert-butyl-5-fluoro-5-methylpiperidin-1-yl)ethanone?
1-(2-tert-butyl-5-fluoro-5-methylpiperidin-1-yl)ethanone has a molecular weight of 215.31 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-5-fluoro-5-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 170179080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).