[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-fluorobenzoate

C16H20FNO3 — CID 4583904

IUPAC[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-fluorobenzoate
SMILESCC1CCCC(C)N1C(=O)COC(=O)c1ccccc1F
InChIInChI=1S/C16H20FNO3/c1-11-6-5-7-12(2)18(11)15(19)10-21-16(20)13-8-3-4-9-14(13)17/h3-4,8-9,11-12H,5-7,10H2,1-2H3
InChIKeySFXIIUYISMLHFK-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.77
Rot. Bonds3

About [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-fluorobenzoate

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-fluorobenzoate (PubChem CID 4583904) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-fluorobenzoate
PubChem CID4583904
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-fluorobenzoate
SMILESCC1CCCC(C)N1C(=O)COC(=O)c1ccccc1F
InChIInChI=1S/C16H20FNO3/c1-11-6-5-7-12(2)18(11)15(19)10-21-16(20)13-8-3-4-9-14(13)17/h3-4,8-9,11-12H,5-7,10H2,1-2H3
InChIKeySFXIIUYISMLHFK-UHFFFAOYSA-N
XLogP2.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 714836
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CID 2100132
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CID 2334847
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CID 2346228
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CID 2366548
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CID 2433158
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CID 2433412
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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-fluorobenzoate?
The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-fluorobenzoate (CID 4583904) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-fluorobenzoate.
What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-fluorobenzoate?
The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-fluorobenzoate is CC1CCCC(C)N1C(=O)COC(=O)c1ccccc1F.
What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-fluorobenzoate?
The InChIKey is SFXIIUYISMLHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-11-6-5-7-12(2)18(11)15(19)10-21-16(20)13-8-3-4-9-14(13)17/h3-4,8-9,11-12H,5-7,10H2,1-2H3.
What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-fluorobenzoate?
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-fluorobenzoate has a molecular weight of 293.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-fluorobenzoate is sourced from PubChem (CID 4583904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).