(3-fluoropiperidin-4-yl) butanoate

C9H16FNO2 — CID 174445737

IUPAC(3-fluoropiperidin-4-yl) butanoate
SMILESCCCC(=O)OC1CCNCC1F
InChIInChI=1S/C9H16FNO2/c1-2-3-9(12)13-8-4-5-11-6-7(8)10/h7-8,11H,2-6H2,1H3
InChIKeyXOGOSWHZSBHJEB-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.03
Rot. Bonds3

About (3-fluoropiperidin-4-yl) butanoate

(3-fluoropiperidin-4-yl) butanoate (PubChem CID 174445737) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is (3-fluoropiperidin-4-yl) butanoate.

Molecular Properties

Compound Name(3-fluoropiperidin-4-yl) butanoate
PubChem CID174445737
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name(3-fluoropiperidin-4-yl) butanoate
SMILESCCCC(=O)OC1CCNCC1F
InChIInChI=1S/C9H16FNO2/c1-2-3-9(12)13-8-4-5-11-6-7(8)10/h7-8,11H,2-6H2,1H3
InChIKeyXOGOSWHZSBHJEB-UHFFFAOYSA-N
XLogP1.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.03
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) butanoate?
The IUPAC name of (3-fluoropiperidin-4-yl) butanoate (CID 174445737) is (3-fluoropiperidin-4-yl) butanoate.
What is the SMILES notation for (3-fluoropiperidin-4-yl) butanoate?
The canonical SMILES for (3-fluoropiperidin-4-yl) butanoate is CCCC(=O)OC1CCNCC1F.
What is the InChIKey of (3-fluoropiperidin-4-yl) butanoate?
The InChIKey is XOGOSWHZSBHJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-2-3-9(12)13-8-4-5-11-6-7(8)10/h7-8,11H,2-6H2,1H3.
What are the key properties of (3-fluoropiperidin-4-yl) butanoate?
(3-fluoropiperidin-4-yl) butanoate has a molecular weight of 189.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoropiperidin-4-yl) butanoate is sourced from PubChem (CID 174445737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).