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

C9H16FNO2 — CID 10081206

IUPAC[1-(2-fluoroethyl)piperidin-4-yl] acetate
SMILESCC(=O)OC1CCN(CCF)CC1
InChIInChI=1S/C9H16FNO2/c1-8(12)13-9-2-5-11(6-3-9)7-4-10/h9H,2-7H2,1H3
InChIKeyLGIBFTXNELWMLC-UHFFFAOYSA-N
MW189.23 g/mol
LogP0.98
Rot. Bonds3

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

[1-(2-fluoroethyl)piperidin-4-yl] acetate (PubChem CID 10081206) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is [1-(2-fluoroethyl)piperidin-4-yl] acetate.

Molecular Properties

Compound Name[1-(2-fluoroethyl)piperidin-4-yl] acetate
PubChem CID10081206
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name[1-(2-fluoroethyl)piperidin-4-yl] acetate
SMILESCC(=O)OC1CCN(CCF)CC1
InChIInChI=1S/C9H16FNO2/c1-8(12)13-9-2-5-11(6-3-9)7-4-10/h9H,2-7H2,1H3
InChIKeyLGIBFTXNELWMLC-UHFFFAOYSA-N
XLogP0.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroethyl)piperidin-4-yl] acetate?
The IUPAC name of [1-(2-fluoroethyl)piperidin-4-yl] acetate (CID 10081206) is [1-(2-fluoroethyl)piperidin-4-yl] acetate.
What is the SMILES notation for [1-(2-fluoroethyl)piperidin-4-yl] acetate?
The canonical SMILES for [1-(2-fluoroethyl)piperidin-4-yl] acetate is CC(=O)OC1CCN(CCF)CC1.
What is the InChIKey of [1-(2-fluoroethyl)piperidin-4-yl] acetate?
The InChIKey is LGIBFTXNELWMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-8(12)13-9-2-5-11(6-3-9)7-4-10/h9H,2-7H2,1H3.
What are the key properties of [1-(2-fluoroethyl)piperidin-4-yl] acetate?
[1-(2-fluoroethyl)piperidin-4-yl] acetate has a molecular weight of 189.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoroethyl)piperidin-4-yl] acetate is sourced from PubChem (CID 10081206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).