1-(4-fluorophenyl)-4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one

C21H23F2NO2 — CID 13277350

IUPAC1-(4-fluorophenyl)-4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one
SMILESO=C(CCCN1CCC(O)(c2ccc(F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H23F2NO2/c22-18-7-3-16(4-8-18)20(25)2-1-13-24-14-11-21(26,12-15-24)17-5-9-19(23)10-6-17/h3-10,26H,1-2,11-15H2
InChIKeyXDFPJEPCZSJPQC-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.91
Rot. Bonds6

About 1-(4-fluorophenyl)-4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one

1-(4-fluorophenyl)-4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one (PubChem CID 13277350) has the molecular formula C21H23F2NO2 and a molecular weight of 359.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one
PubChem CID13277350
Molecular FormulaC21H23F2NO2
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name1-(4-fluorophenyl)-4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one
SMILESO=C(CCCN1CCC(O)(c2ccc(F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H23F2NO2/c22-18-7-3-16(4-8-18)20(25)2-1-13-24-14-11-21(26,12-15-24)17-5-9-19(23)10-6-17/h3-10,26H,1-2,11-15H2
InChIKeyXDFPJEPCZSJPQC-UHFFFAOYSA-N
XLogP3.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one (CID 13277350) is 1-(4-fluorophenyl)-4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one is O=C(CCCN1CCC(O)(c2ccc(F)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one?
The InChIKey is XDFPJEPCZSJPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO2/c22-18-7-3-16(4-8-18)20(25)2-1-13-24-14-11-21(26,12-15-24)17-5-9-19(23)10-6-17/h3-10,26H,1-2,11-15H2.
What are the key properties of 1-(4-fluorophenyl)-4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one?
1-(4-fluorophenyl)-4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one has a molecular weight of 359.42 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one is sourced from PubChem (CID 13277350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).