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

C15H20FNO2 — CID 29734

IUPAC1-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one
SMILESO=C(CCCN1CCC(O)CC1)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c16-13-5-3-12(4-6-13)15(19)2-1-9-17-10-7-14(18)8-11-17/h3-6,14,18H,1-2,7-11H2
InChIKeyOJTNFBDLVWOHKM-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.25
Rot. Bonds5

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

1-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one (PubChem CID 29734) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one
PubChem CID29734
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one
SMILESO=C(CCCN1CCC(O)CC1)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c16-13-5-3-12(4-6-13)15(19)2-1-9-17-10-7-14(18)8-11-17/h3-6,14,18H,1-2,7-11H2
InChIKeyOJTNFBDLVWOHKM-UHFFFAOYSA-N
XLogP2.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.25
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-hydroxypiperidin-1-yl)butan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one (CID 29734) is 1-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one is O=C(CCCN1CCC(O)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one?
The InChIKey is OJTNFBDLVWOHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c16-13-5-3-12(4-6-13)15(19)2-1-9-17-10-7-14(18)8-11-17/h3-6,14,18H,1-2,7-11H2.
What are the key properties of 1-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one?
1-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one has a molecular weight of 265.33 g/mol, XLogP of 2.25, 5 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-hydroxypiperidin-1-yl)butan-1-one is sourced from PubChem (CID 29734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).