3-(3-fluoropropyl)piperidin-4-one

C8H14FNO — CID 114451613

IUPAC3-(3-fluoropropyl)piperidin-4-one
SMILESO=C1CCNCC1CCCF
InChIInChI=1S/C8H14FNO/c9-4-1-2-7-6-10-5-3-8(7)11/h7,10H,1-6H2
InChIKeyHXYPEKFGOGIHBF-UHFFFAOYSA-N
MW159.20 g/mol
LogP0.91
Rot. Bonds3

About 3-(3-fluoropropyl)piperidin-4-one

3-(3-fluoropropyl)piperidin-4-one (PubChem CID 114451613) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 3-(3-fluoropropyl)piperidin-4-one.

Molecular Properties

Compound Name3-(3-fluoropropyl)piperidin-4-one
PubChem CID114451613
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name3-(3-fluoropropyl)piperidin-4-one
SMILESO=C1CCNCC1CCCF
InChIInChI=1S/C8H14FNO/c9-4-1-2-7-6-10-5-3-8(7)11/h7,10H,1-6H2
InChIKeyHXYPEKFGOGIHBF-UHFFFAOYSA-N
XLogP0.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropyl)piperidin-4-one?
The IUPAC name of 3-(3-fluoropropyl)piperidin-4-one (CID 114451613) is 3-(3-fluoropropyl)piperidin-4-one.
What is the SMILES notation for 3-(3-fluoropropyl)piperidin-4-one?
The canonical SMILES for 3-(3-fluoropropyl)piperidin-4-one is O=C1CCNCC1CCCF.
What is the InChIKey of 3-(3-fluoropropyl)piperidin-4-one?
The InChIKey is HXYPEKFGOGIHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c9-4-1-2-7-6-10-5-3-8(7)11/h7,10H,1-6H2.
What are the key properties of 3-(3-fluoropropyl)piperidin-4-one?
3-(3-fluoropropyl)piperidin-4-one has a molecular weight of 159.20 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropyl)piperidin-4-one is sourced from PubChem (CID 114451613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).