1-(1-acetyl-4-fluoropiperidin-4-yl)ethanone

C9H14FNO2 — CID 58356032

IUPAC1-(1-acetyl-4-fluoropiperidin-4-yl)ethanone
SMILESCC(=O)N1CCC(F)(C(C)=O)CC1
InChIInChI=1S/C9H14FNO2/c1-7(12)9(10)3-5-11(6-4-9)8(2)13/h3-6H2,1-2H3
InChIKeyCEJKNMUYCHYVHF-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.93
Rot. Bonds1

About 1-(1-acetyl-4-fluoropiperidin-4-yl)ethanone

1-(1-acetyl-4-fluoropiperidin-4-yl)ethanone (PubChem CID 58356032) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is 1-(1-acetyl-4-fluoropiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-acetyl-4-fluoropiperidin-4-yl)ethanone
PubChem CID58356032
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Name1-(1-acetyl-4-fluoropiperidin-4-yl)ethanone
SMILESCC(=O)N1CCC(F)(C(C)=O)CC1
InChIInChI=1S/C9H14FNO2/c1-7(12)9(10)3-5-11(6-4-9)8(2)13/h3-6H2,1-2H3
InChIKeyCEJKNMUYCHYVHF-UHFFFAOYSA-N
XLogP0.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-4-fluoropiperidin-4-yl)ethanone?
The IUPAC name of 1-(1-acetyl-4-fluoropiperidin-4-yl)ethanone (CID 58356032) is 1-(1-acetyl-4-fluoropiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(1-acetyl-4-fluoropiperidin-4-yl)ethanone?
The canonical SMILES for 1-(1-acetyl-4-fluoropiperidin-4-yl)ethanone is CC(=O)N1CCC(F)(C(C)=O)CC1.
What is the InChIKey of 1-(1-acetyl-4-fluoropiperidin-4-yl)ethanone?
The InChIKey is CEJKNMUYCHYVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO2/c1-7(12)9(10)3-5-11(6-4-9)8(2)13/h3-6H2,1-2H3.
What are the key properties of 1-(1-acetyl-4-fluoropiperidin-4-yl)ethanone?
1-(1-acetyl-4-fluoropiperidin-4-yl)ethanone has a molecular weight of 187.21 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-4-fluoropiperidin-4-yl)ethanone is sourced from PubChem (CID 58356032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).