(4-phenylpiperidin-4-yl) 9-hydroxyfluorene-9-carboxylate

C25H23NO3 — CID 167314746

IUPAC(4-phenylpiperidin-4-yl) 9-hydroxyfluorene-9-carboxylate
SMILESO=C(OC1(c2ccccc2)CCNCC1)C1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H23NO3/c27-23(29-24(14-16-26-17-15-24)18-8-2-1-3-9-18)25(28)21-12-6-4-10-19(21)20-11-5-7-13-22(20)25/h1-13,26,28H,14-17H2
InChIKeyZXFGNKJVTQBSRP-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.72
Rot. Bonds3

About (4-phenylpiperidin-4-yl) 9-hydroxyfluorene-9-carboxylate

(4-phenylpiperidin-4-yl) 9-hydroxyfluorene-9-carboxylate (PubChem CID 167314746) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is (4-phenylpiperidin-4-yl) 9-hydroxyfluorene-9-carboxylate.

Molecular Properties

Compound Name(4-phenylpiperidin-4-yl) 9-hydroxyfluorene-9-carboxylate
PubChem CID167314746
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name(4-phenylpiperidin-4-yl) 9-hydroxyfluorene-9-carboxylate
SMILESO=C(OC1(c2ccccc2)CCNCC1)C1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H23NO3/c27-23(29-24(14-16-26-17-15-24)18-8-2-1-3-9-18)25(28)21-12-6-4-10-19(21)20-11-5-7-13-22(20)25/h1-13,26,28H,14-17H2
InChIKeyZXFGNKJVTQBSRP-UHFFFAOYSA-N
XLogP3.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-phenylpiperidin-4-yl) 9-hydroxyfluorene-9-carboxylate 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-phenylpiperidin-4-yl) 9-hydroxyfluorene-9-carboxylate?
The IUPAC name of (4-phenylpiperidin-4-yl) 9-hydroxyfluorene-9-carboxylate (CID 167314746) is (4-phenylpiperidin-4-yl) 9-hydroxyfluorene-9-carboxylate.
What is the SMILES notation for (4-phenylpiperidin-4-yl) 9-hydroxyfluorene-9-carboxylate?
The canonical SMILES for (4-phenylpiperidin-4-yl) 9-hydroxyfluorene-9-carboxylate is O=C(OC1(c2ccccc2)CCNCC1)C1(O)c2ccccc2-c2ccccc21.
What is the InChIKey of (4-phenylpiperidin-4-yl) 9-hydroxyfluorene-9-carboxylate?
The InChIKey is ZXFGNKJVTQBSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c27-23(29-24(14-16-26-17-15-24)18-8-2-1-3-9-18)25(28)21-12-6-4-10-19(21)20-11-5-7-13-22(20)25/h1-13,26,28H,14-17H2.
What are the key properties of (4-phenylpiperidin-4-yl) 9-hydroxyfluorene-9-carboxylate?
(4-phenylpiperidin-4-yl) 9-hydroxyfluorene-9-carboxylate has a molecular weight of 385.46 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperidin-4-yl) 9-hydroxyfluorene-9-carboxylate is sourced from PubChem (CID 167314746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).