1-(4-fluorophenyl)-4-[4-[4-(furan-3-yl)phenyl]-4-hydroxypiperidin-1-yl]butan-1-one

C25H26FNO3 — CID 129093720

IUPAC1-(4-fluorophenyl)-4-[4-[4-(furan-3-yl)phenyl]-4-hydroxypiperidin-1-yl]butan-1-one
SMILESO=C(CCCN1CCC(O)(c2ccc(-c3ccoc3)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C25H26FNO3/c26-23-9-5-20(6-10-23)24(28)2-1-14-27-15-12-25(29,13-16-27)22-7-3-19(4-8-22)21-11-17-30-18-21/h3-11,17-18,29H,1-2,12-16H2
InChIKeyYKBRLGDJEKSWOX-UHFFFAOYSA-N
MW407.49 g/mol
LogP5.03
Rot. Bonds7

About 1-(4-fluorophenyl)-4-[4-[4-(furan-3-yl)phenyl]-4-hydroxypiperidin-1-yl]butan-1-one

1-(4-fluorophenyl)-4-[4-[4-(furan-3-yl)phenyl]-4-hydroxypiperidin-1-yl]butan-1-one (PubChem CID 129093720) has the molecular formula C25H26FNO3 and a molecular weight of 407.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[4-[4-(furan-3-yl)phenyl]-4-hydroxypiperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[4-[4-(furan-3-yl)phenyl]-4-hydroxypiperidin-1-yl]butan-1-one
PubChem CID129093720
Molecular FormulaC25H26FNO3
Molecular Weight407.49 g/mol
Exact Mass407.19
IUPAC Name1-(4-fluorophenyl)-4-[4-[4-(furan-3-yl)phenyl]-4-hydroxypiperidin-1-yl]butan-1-one
SMILESO=C(CCCN1CCC(O)(c2ccc(-c3ccoc3)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C25H26FNO3/c26-23-9-5-20(6-10-23)24(28)2-1-14-27-15-12-25(29,13-16-27)22-7-3-19(4-8-22)21-11-17-30-18-21/h3-11,17-18,29H,1-2,12-16H2
InChIKeyYKBRLGDJEKSWOX-UHFFFAOYSA-N
XLogP5.03
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.49
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[4-[4-(furan-3-yl)phenyl]-4-hydroxypiperidin-1-yl]butan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-[4-[4-(furan-3-yl)phenyl]-4-hydroxypiperidin-1-yl]butan-1-one (CID 129093720) is 1-(4-fluorophenyl)-4-[4-[4-(furan-3-yl)phenyl]-4-hydroxypiperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[4-[4-(furan-3-yl)phenyl]-4-hydroxypiperidin-1-yl]butan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-[4-[4-(furan-3-yl)phenyl]-4-hydroxypiperidin-1-yl]butan-1-one is O=C(CCCN1CCC(O)(c2ccc(-c3ccoc3)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[4-[4-(furan-3-yl)phenyl]-4-hydroxypiperidin-1-yl]butan-1-one?
The InChIKey is YKBRLGDJEKSWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO3/c26-23-9-5-20(6-10-23)24(28)2-1-14-27-15-12-25(29,13-16-27)22-7-3-19(4-8-22)21-11-17-30-18-21/h3-11,17-18,29H,1-2,12-16H2.
What are the key properties of 1-(4-fluorophenyl)-4-[4-[4-(furan-3-yl)phenyl]-4-hydroxypiperidin-1-yl]butan-1-one?
1-(4-fluorophenyl)-4-[4-[4-(furan-3-yl)phenyl]-4-hydroxypiperidin-1-yl]butan-1-one has a molecular weight of 407.49 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[4-[4-(furan-3-yl)phenyl]-4-hydroxypiperidin-1-yl]butan-1-one is sourced from PubChem (CID 129093720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).