5-(4-fluorophenyl)-5-hydroxy-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one

C18H26FNO3 — CID 67739898

IUPAC5-(4-fluorophenyl)-5-hydroxy-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one
SMILESCC(=O)C(CC(O)(c1ccc(F)cc1)N1CCCCC1)C(C)O
InChIInChI=1S/C18H26FNO3/c1-13(21)17(14(2)22)12-18(23,20-10-4-3-5-11-20)15-6-8-16(19)9-7-15/h6-9,13,17,21,23H,3-5,10-12H2,1-2H3
InChIKeyIPRXOBPUPCASMM-UHFFFAOYSA-N
MW323.41 g/mol
LogP2.43
Rot. Bonds6

About 5-(4-fluorophenyl)-5-hydroxy-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one

5-(4-fluorophenyl)-5-hydroxy-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one (PubChem CID 67739898) has the molecular formula C18H26FNO3 and a molecular weight of 323.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-5-hydroxy-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-5-hydroxy-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one
PubChem CID67739898
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC Name5-(4-fluorophenyl)-5-hydroxy-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one
SMILESCC(=O)C(CC(O)(c1ccc(F)cc1)N1CCCCC1)C(C)O
InChIInChI=1S/C18H26FNO3/c1-13(21)17(14(2)22)12-18(23,20-10-4-3-5-11-20)15-6-8-16(19)9-7-15/h6-9,13,17,21,23H,3-5,10-12H2,1-2H3
InChIKeyIPRXOBPUPCASMM-UHFFFAOYSA-N
XLogP2.43
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-5-hydroxy-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one?
The IUPAC name of 5-(4-fluorophenyl)-5-hydroxy-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one (CID 67739898) is 5-(4-fluorophenyl)-5-hydroxy-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-5-hydroxy-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-5-hydroxy-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one is CC(=O)C(CC(O)(c1ccc(F)cc1)N1CCCCC1)C(C)O.
What is the InChIKey of 5-(4-fluorophenyl)-5-hydroxy-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one?
The InChIKey is IPRXOBPUPCASMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO3/c1-13(21)17(14(2)22)12-18(23,20-10-4-3-5-11-20)15-6-8-16(19)9-7-15/h6-9,13,17,21,23H,3-5,10-12H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-5-hydroxy-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one?
5-(4-fluorophenyl)-5-hydroxy-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one has a molecular weight of 323.41 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-5-hydroxy-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one is sourced from PubChem (CID 67739898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).