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

C9H16FNO2 — CID 174500944

IUPAC[1-(1-fluoroethyl)piperidin-4-yl] acetate
SMILESCC(=O)OC1CCN(C(C)F)CC1
InChIInChI=1S/C9H16FNO2/c1-7(10)11-5-3-9(4-6-11)13-8(2)12/h7,9H,3-6H2,1-2H3
InChIKeyUJPAOVSEORQBOF-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.33
Rot. Bonds2

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

[1-(1-fluoroethyl)piperidin-4-yl] acetate (PubChem CID 174500944) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is [1-(1-fluoroethyl)piperidin-4-yl] acetate.

Molecular Properties

Compound Name[1-(1-fluoroethyl)piperidin-4-yl] acetate
PubChem CID174500944
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name[1-(1-fluoroethyl)piperidin-4-yl] acetate
SMILESCC(=O)OC1CCN(C(C)F)CC1
InChIInChI=1S/C9H16FNO2/c1-7(10)11-5-3-9(4-6-11)13-8(2)12/h7,9H,3-6H2,1-2H3
InChIKeyUJPAOVSEORQBOF-UHFFFAOYSA-N
XLogP1.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

[1-[(2S)-2-aminopropanoyl]piperidin-4-yl] acetate
CID 67663006
(6-acetyloxycyclodecyl) acetate
CID 539578
cycloheptadecyl acetate
CID 57215828
azane;cyclohexyl acetate
CID 174554221
cyclohexyl acetate;dihydrochloride
CID 140971070
(4,4-diaminocyclohexyl) acetate
CID 174708289
lithium;carbanide;cyclohexyl acetate
CID 158677387
[1-(2-acetamidoethyl)piperidin-4-yl] acetate
CID 58811218
(1,2,2-trimethylpiperidin-4-yl) acetate
CID 163597402
[1-(1,1,1-trifluoropropan-2-yl)piperidin-4-yl] N-tert-butylcarbamate
CID 174969503
ethane;piperidin-4-yl acetate
CID 144574283
4-(4-methoxypiperidin-1-yl)pentan-2-one
CID 64699120

Frequently Asked Questions

What is the IUPAC name of [1-(1-fluoroethyl)piperidin-4-yl] acetate?
The IUPAC name of [1-(1-fluoroethyl)piperidin-4-yl] acetate (CID 174500944) is [1-(1-fluoroethyl)piperidin-4-yl] acetate.
What is the SMILES notation for [1-(1-fluoroethyl)piperidin-4-yl] acetate?
The canonical SMILES for [1-(1-fluoroethyl)piperidin-4-yl] acetate is CC(=O)OC1CCN(C(C)F)CC1.
What is the InChIKey of [1-(1-fluoroethyl)piperidin-4-yl] acetate?
The InChIKey is UJPAOVSEORQBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-7(10)11-5-3-9(4-6-11)13-8(2)12/h7,9H,3-6H2,1-2H3.
What are the key properties of [1-(1-fluoroethyl)piperidin-4-yl] acetate?
[1-(1-fluoroethyl)piperidin-4-yl] acetate has a molecular weight of 189.23 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-fluoroethyl)piperidin-4-yl] acetate is sourced from PubChem (CID 174500944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).