[4-(fluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate

C11H20FNO2 — CID 174500439

IUPAC[4-(fluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(CF)CC1
InChIInChI=1S/C11H20FNO2/c1-11(2,3)10(14)15-13-6-4-9(8-12)5-7-13/h9H,4-8H2,1-3H3
InChIKeyKLBNLZROTVZIHU-UHFFFAOYSA-N
MW217.28 g/mol
LogP2.17
Rot. Bonds2

About [4-(fluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate

[4-(fluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174500439) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is [4-(fluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(fluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174500439
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name[4-(fluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(CF)CC1
InChIInChI=1S/C11H20FNO2/c1-11(2,3)10(14)15-13-6-4-9(8-12)5-7-13/h9H,4-8H2,1-3H3
InChIKeyKLBNLZROTVZIHU-UHFFFAOYSA-N
XLogP2.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(fluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(fluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate (CID 174500439) is [4-(fluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(fluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(fluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(CF)CC1.
What is the InChIKey of [4-(fluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is KLBNLZROTVZIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-11(2,3)10(14)15-13-6-4-9(8-12)5-7-13/h9H,4-8H2,1-3H3.
What are the key properties of [4-(fluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate?
[4-(fluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 217.28 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(fluoromethyl)piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174500439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).