[1-(2-(18F)fluoroethyl)piperidin-4-yl]methyl acetate

C10H18FNO2 — CID 46172914

IUPAC[1-(2-(18F)fluoroethyl)piperidin-4-yl]methyl acetate
SMILESCC(=O)OCC1CCN(CC[18F])CC1
InChIInChI=1S/C10H18FNO2/c1-9(13)14-8-10-2-5-12(6-3-10)7-4-11/h10H,2-8H2,1H3/i11-1
InChIKeyHRXXYXBJNNXYSG-KXMUYVCJSA-N
MW202.26 g/mol
LogP1.23
Rot. Bonds4

About [1-(2-(18F)fluoroethyl)piperidin-4-yl]methyl acetate

[1-(2-(18F)fluoroethyl)piperidin-4-yl]methyl acetate (PubChem CID 46172914) has the molecular formula C10H18FNO2 and a molecular weight of 202.26 g/mol. Its IUPAC name is [1-(2-(18F)fluoroethyl)piperidin-4-yl]methyl acetate.

Molecular Properties

Compound Name[1-(2-(18F)fluoroethyl)piperidin-4-yl]methyl acetate
PubChem CID46172914
Molecular FormulaC10H18FNO2
Molecular Weight202.26 g/mol
Exact Mass202.13
IUPAC Name[1-(2-(18F)fluoroethyl)piperidin-4-yl]methyl acetate
SMILESCC(=O)OCC1CCN(CC[18F])CC1
InChIInChI=1S/C10H18FNO2/c1-9(13)14-8-10-2-5-12(6-3-10)7-4-11/h10H,2-8H2,1H3/i11-1
InChIKeyHRXXYXBJNNXYSG-KXMUYVCJSA-N
XLogP1.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-(18F)fluoroethyl)piperidin-4-yl]methyl acetate?
The IUPAC name of [1-(2-(18F)fluoroethyl)piperidin-4-yl]methyl acetate (CID 46172914) is [1-(2-(18F)fluoroethyl)piperidin-4-yl]methyl acetate.
What is the SMILES notation for [1-(2-(18F)fluoroethyl)piperidin-4-yl]methyl acetate?
The canonical SMILES for [1-(2-(18F)fluoroethyl)piperidin-4-yl]methyl acetate is CC(=O)OCC1CCN(CC[18F])CC1.
What is the InChIKey of [1-(2-(18F)fluoroethyl)piperidin-4-yl]methyl acetate?
The InChIKey is HRXXYXBJNNXYSG-KXMUYVCJSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-9(13)14-8-10-2-5-12(6-3-10)7-4-11/h10H,2-8H2,1H3/i11-1.
What are the key properties of [1-(2-(18F)fluoroethyl)piperidin-4-yl]methyl acetate?
[1-(2-(18F)fluoroethyl)piperidin-4-yl]methyl acetate has a molecular weight of 202.26 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-(18F)fluoroethyl)piperidin-4-yl]methyl acetate is sourced from PubChem (CID 46172914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).