3-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-piperidin-1-ylpentan-2-one

C18H26FNO2 — CID 22413638

IUPAC3-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-piperidin-1-ylpentan-2-one
SMILESCC(=O)C(CCc1ccc(F)cc1)C(C)(O)N1CCCCC1
InChIInChI=1S/C18H26FNO2/c1-14(21)17(11-8-15-6-9-16(19)10-7-15)18(2,22)20-12-4-3-5-13-20/h6-7,9-10,17,22H,3-5,8,11-13H2,1-2H3
InChIKeyZXQSTDJQIMOBLE-UHFFFAOYSA-N
MW307.41 g/mol
LogP3.16
Rot. Bonds6

About 3-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-piperidin-1-ylpentan-2-one

3-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-piperidin-1-ylpentan-2-one (PubChem CID 22413638) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-piperidin-1-ylpentan-2-one.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-piperidin-1-ylpentan-2-one
PubChem CID22413638
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC Name3-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-piperidin-1-ylpentan-2-one
SMILESCC(=O)C(CCc1ccc(F)cc1)C(C)(O)N1CCCCC1
InChIInChI=1S/C18H26FNO2/c1-14(21)17(11-8-15-6-9-16(19)10-7-15)18(2,22)20-12-4-3-5-13-20/h6-7,9-10,17,22H,3-5,8,11-13H2,1-2H3
InChIKeyZXQSTDJQIMOBLE-UHFFFAOYSA-N
XLogP3.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-piperidin-1-ylpentan-2-one?
The IUPAC name of 3-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-piperidin-1-ylpentan-2-one (CID 22413638) is 3-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-piperidin-1-ylpentan-2-one.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-piperidin-1-ylpentan-2-one?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-piperidin-1-ylpentan-2-one is CC(=O)C(CCc1ccc(F)cc1)C(C)(O)N1CCCCC1.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-piperidin-1-ylpentan-2-one?
The InChIKey is ZXQSTDJQIMOBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO2/c1-14(21)17(11-8-15-6-9-16(19)10-7-15)18(2,22)20-12-4-3-5-13-20/h6-7,9-10,17,22H,3-5,8,11-13H2,1-2H3.
What are the key properties of 3-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-piperidin-1-ylpentan-2-one?
3-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-piperidin-1-ylpentan-2-one has a molecular weight of 307.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-piperidin-1-ylpentan-2-one is sourced from PubChem (CID 22413638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).