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

C8H14FNO — CID 67570230

IUPAC1-(4-fluoro-4-methylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(C)(F)CC1
InChIInChI=1S/C8H14FNO/c1-7(11)10-5-3-8(2,9)4-6-10/h3-6H2,1-2H3
InChIKeyMPKXJRRLBWDDML-UHFFFAOYSA-N
MW159.20 g/mol
LogP1.36
Rot. Bonds

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

1-(4-fluoro-4-methylpiperidin-1-yl)ethanone (PubChem CID 67570230) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 1-(4-fluoro-4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluoro-4-methylpiperidin-1-yl)ethanone
PubChem CID67570230
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name1-(4-fluoro-4-methylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(C)(F)CC1
InChIInChI=1S/C8H14FNO/c1-7(11)10-5-3-8(2,9)4-6-10/h3-6H2,1-2H3
InChIKeyMPKXJRRLBWDDML-UHFFFAOYSA-N
XLogP1.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-fluoro-4-methylpiperidin-1-yl)ethanone (CID 67570230) is 1-(4-fluoro-4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-fluoro-4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-fluoro-4-methylpiperidin-1-yl)ethanone is CC(=O)N1CCC(C)(F)CC1.
What is the InChIKey of 1-(4-fluoro-4-methylpiperidin-1-yl)ethanone?
The InChIKey is MPKXJRRLBWDDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-7(11)10-5-3-8(2,9)4-6-10/h3-6H2,1-2H3.
What are the key properties of 1-(4-fluoro-4-methylpiperidin-1-yl)ethanone?
1-(4-fluoro-4-methylpiperidin-1-yl)ethanone has a molecular weight of 159.20 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 67570230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).