4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluoro-2-methylphenyl)butan-1-one

C23H28FNO2 — CID 20560269

IUPAC4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluoro-2-methylphenyl)butan-1-one
SMILESCc1cc(F)ccc1C(=O)CCCN1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C23H28FNO2/c1-18-16-20(24)9-10-21(18)22(26)8-5-13-25-14-11-23(27,12-15-25)17-19-6-3-2-4-7-19/h2-4,6-7,9-10,16,27H,5,8,11-15,17H2,1H3
InChIKeyWKJUHTILVFKZOL-UHFFFAOYSA-N
MW369.48 g/mol
LogP4.17
Rot. Bonds7

About 4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluoro-2-methylphenyl)butan-1-one

4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluoro-2-methylphenyl)butan-1-one (PubChem CID 20560269) has the molecular formula C23H28FNO2 and a molecular weight of 369.48 g/mol. Its IUPAC name is 4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluoro-2-methylphenyl)butan-1-one.

Molecular Properties

Compound Name4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluoro-2-methylphenyl)butan-1-one
PubChem CID20560269
Molecular FormulaC23H28FNO2
Molecular Weight369.48 g/mol
Exact Mass369.21
IUPAC Name4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluoro-2-methylphenyl)butan-1-one
SMILESCc1cc(F)ccc1C(=O)CCCN1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C23H28FNO2/c1-18-16-20(24)9-10-21(18)22(26)8-5-13-25-14-11-23(27,12-15-25)17-19-6-3-2-4-7-19/h2-4,6-7,9-10,16,27H,5,8,11-15,17H2,1H3
InChIKeyWKJUHTILVFKZOL-UHFFFAOYSA-N
XLogP4.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluoro-2-methylphenyl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluoro-2-methylphenyl)butan-1-one?
The IUPAC name of 4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluoro-2-methylphenyl)butan-1-one (CID 20560269) is 4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluoro-2-methylphenyl)butan-1-one.
What is the SMILES notation for 4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluoro-2-methylphenyl)butan-1-one?
The canonical SMILES for 4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluoro-2-methylphenyl)butan-1-one is Cc1cc(F)ccc1C(=O)CCCN1CCC(O)(Cc2ccccc2)CC1.
What is the InChIKey of 4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluoro-2-methylphenyl)butan-1-one?
The InChIKey is WKJUHTILVFKZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO2/c1-18-16-20(24)9-10-21(18)22(26)8-5-13-25-14-11-23(27,12-15-25)17-19-6-3-2-4-7-19/h2-4,6-7,9-10,16,27H,5,8,11-15,17H2,1H3.
What are the key properties of 4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluoro-2-methylphenyl)butan-1-one?
4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluoro-2-methylphenyl)butan-1-one has a molecular weight of 369.48 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluoro-2-methylphenyl)butan-1-one is sourced from PubChem (CID 20560269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).