2-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-2,3-dihydroinden-1-one

C21H22FNO2 — CID 21444652

IUPAC2-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1CN1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H22FNO2/c22-18-7-5-17(6-8-18)21(25)9-11-23(12-10-21)14-16-13-15-3-1-2-4-19(15)20(16)24/h1-8,16,25H,9-14H2
InChIKeyUVRAXUXGBOSWFS-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.16
Rot. Bonds3

About 2-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-2,3-dihydroinden-1-one

2-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-2,3-dihydroinden-1-one (PubChem CID 21444652) has the molecular formula C21H22FNO2 and a molecular weight of 339.41 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-2,3-dihydroinden-1-one
PubChem CID21444652
Molecular FormulaC21H22FNO2
Molecular Weight339.41 g/mol
Exact Mass339.16
IUPAC Name2-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1CN1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H22FNO2/c22-18-7-5-17(6-8-18)21(25)9-11-23(12-10-21)14-16-13-15-3-1-2-4-19(15)20(16)24/h1-8,16,25H,9-14H2
InChIKeyUVRAXUXGBOSWFS-UHFFFAOYSA-N
XLogP3.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-2,3-dihydroinden-1-one?
The IUPAC name of 2-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-2,3-dihydroinden-1-one (CID 21444652) is 2-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 2-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-2,3-dihydroinden-1-one is O=C1c2ccccc2CC1CN1CCC(O)(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-2,3-dihydroinden-1-one?
The InChIKey is UVRAXUXGBOSWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO2/c22-18-7-5-17(6-8-18)21(25)9-11-23(12-10-21)14-16-13-15-3-1-2-4-19(15)20(16)24/h1-8,16,25H,9-14H2.
What are the key properties of 2-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-2,3-dihydroinden-1-one?
2-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-2,3-dihydroinden-1-one has a molecular weight of 339.41 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 21444652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).