(1-acetyl-4-fluoropiperidin-4-yl)methyl acetate

C10H16FNO3 — CID 126741612

IUPAC(1-acetyl-4-fluoropiperidin-4-yl)methyl acetate
SMILESCC(=O)OCC1(F)CCN(C(C)=O)CC1
InChIInChI=1S/C10H16FNO3/c1-8(13)12-5-3-10(11,4-6-12)7-15-9(2)14/h3-7H2,1-2H3
InChIKeyXIXLRRQAGPHMCK-UHFFFAOYSA-N
MW217.24 g/mol
LogP0.90
Rot. Bonds2

About (1-acetyl-4-fluoropiperidin-4-yl)methyl acetate

(1-acetyl-4-fluoropiperidin-4-yl)methyl acetate (PubChem CID 126741612) has the molecular formula C10H16FNO3 and a molecular weight of 217.24 g/mol. Its IUPAC name is (1-acetyl-4-fluoropiperidin-4-yl)methyl acetate.

Molecular Properties

Compound Name(1-acetyl-4-fluoropiperidin-4-yl)methyl acetate
PubChem CID126741612
Molecular FormulaC10H16FNO3
Molecular Weight217.24 g/mol
Exact Mass217.11
IUPAC Name(1-acetyl-4-fluoropiperidin-4-yl)methyl acetate
SMILESCC(=O)OCC1(F)CCN(C(C)=O)CC1
InChIInChI=1S/C10H16FNO3/c1-8(13)12-5-3-10(11,4-6-12)7-15-9(2)14/h3-7H2,1-2H3
InChIKeyXIXLRRQAGPHMCK-UHFFFAOYSA-N
XLogP0.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-acetyl-4-fluoropiperidin-4-yl)methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-acetyl-4-fluoropiperidin-4-yl)methyl acetate?
The IUPAC name of (1-acetyl-4-fluoropiperidin-4-yl)methyl acetate (CID 126741612) is (1-acetyl-4-fluoropiperidin-4-yl)methyl acetate.
What is the SMILES notation for (1-acetyl-4-fluoropiperidin-4-yl)methyl acetate?
The canonical SMILES for (1-acetyl-4-fluoropiperidin-4-yl)methyl acetate is CC(=O)OCC1(F)CCN(C(C)=O)CC1.
What is the InChIKey of (1-acetyl-4-fluoropiperidin-4-yl)methyl acetate?
The InChIKey is XIXLRRQAGPHMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO3/c1-8(13)12-5-3-10(11,4-6-12)7-15-9(2)14/h3-7H2,1-2H3.
What are the key properties of (1-acetyl-4-fluoropiperidin-4-yl)methyl acetate?
(1-acetyl-4-fluoropiperidin-4-yl)methyl acetate has a molecular weight of 217.24 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyl-4-fluoropiperidin-4-yl)methyl acetate is sourced from PubChem (CID 126741612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).