1-[2-(4-fluorophenyl)ethyl]piperidin-4-one

C13H16FNO — CID 7023594

IUPAC1-[2-(4-fluorophenyl)ethyl]piperidin-4-one
SMILESO=C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C13H16FNO/c14-12-3-1-11(2-4-12)5-8-15-9-6-13(16)7-10-15/h1-4H,5-10H2
InChIKeyRLCBASWXFBEVKY-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.03
Rot. Bonds3

About 1-[2-(4-fluorophenyl)ethyl]piperidin-4-one

1-[2-(4-fluorophenyl)ethyl]piperidin-4-one (PubChem CID 7023594) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]piperidin-4-one
PubChem CID7023594
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name1-[2-(4-fluorophenyl)ethyl]piperidin-4-one
SMILESO=C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C13H16FNO/c14-12-3-1-11(2-4-12)5-8-15-9-6-13(16)7-10-15/h1-4H,5-10H2
InChIKeyRLCBASWXFBEVKY-UHFFFAOYSA-N
XLogP2.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]piperidin-4-one?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]piperidin-4-one (CID 7023594) is 1-[2-(4-fluorophenyl)ethyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]piperidin-4-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]piperidin-4-one is O=C1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]piperidin-4-one?
The InChIKey is RLCBASWXFBEVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-12-3-1-11(2-4-12)5-8-15-9-6-13(16)7-10-15/h1-4H,5-10H2.
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]piperidin-4-one?
1-[2-(4-fluorophenyl)ethyl]piperidin-4-one has a molecular weight of 221.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]piperidin-4-one is sourced from PubChem (CID 7023594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).