(3-fluoropiperidin-4-yl) 2,2-dimethylpropanoate

C10H18FNO2 — CID 174504278

IUPAC(3-fluoropiperidin-4-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1CCNCC1F
InChIInChI=1S/C10H18FNO2/c1-10(2,3)9(13)14-8-4-5-12-6-7(8)11/h7-8,12H,4-6H2,1-3H3
InChIKeyZCFSUNJIFFXGIH-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.28
Rot. Bonds1

About (3-fluoropiperidin-4-yl) 2,2-dimethylpropanoate

(3-fluoropiperidin-4-yl) 2,2-dimethylpropanoate (PubChem CID 174504278) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is (3-fluoropiperidin-4-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(3-fluoropiperidin-4-yl) 2,2-dimethylpropanoate
PubChem CID174504278
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name(3-fluoropiperidin-4-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1CCNCC1F
InChIInChI=1S/C10H18FNO2/c1-10(2,3)9(13)14-8-4-5-12-6-7(8)11/h7-8,12H,4-6H2,1-3H3
InChIKeyZCFSUNJIFFXGIH-UHFFFAOYSA-N
XLogP1.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluoropiperidin-4-yl) 2,2-dimethylpropanoate?
The IUPAC name of (3-fluoropiperidin-4-yl) 2,2-dimethylpropanoate (CID 174504278) is (3-fluoropiperidin-4-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (3-fluoropiperidin-4-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (3-fluoropiperidin-4-yl) 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1CCNCC1F.
What is the InChIKey of (3-fluoropiperidin-4-yl) 2,2-dimethylpropanoate?
The InChIKey is ZCFSUNJIFFXGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-10(2,3)9(13)14-8-4-5-12-6-7(8)11/h7-8,12H,4-6H2,1-3H3.
What are the key properties of (3-fluoropiperidin-4-yl) 2,2-dimethylpropanoate?
(3-fluoropiperidin-4-yl) 2,2-dimethylpropanoate has a molecular weight of 203.26 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoropiperidin-4-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 174504278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).