1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]-4-(4-fluorophenyl)-4-(2-hydroxyethyl)piperidin-2-one

C25H21ClF3NO2 — CID 67105262

IUPAC1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]-4-(4-fluorophenyl)-4-(2-hydroxyethyl)piperidin-2-one
SMILESO=C1CC(CCO)(c2ccc(F)cc2)CCN1c1ccc(F)c(-c2ccc(F)cc2Cl)c1
InChIInChI=1S/C25H21ClF3NO2/c26-22-13-18(28)5-7-20(22)21-14-19(6-8-23(21)29)30-11-9-25(10-12-31,15-24(30)32)16-1-3-17(27)4-2-16/h1-8,13-14,31H,9-12,15H2
InChIKeyMVPKUBPMVFTNBF-UHFFFAOYSA-N
MW459.90 g/mol
LogP5.87
Rot. Bonds5

About 1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]-4-(4-fluorophenyl)-4-(2-hydroxyethyl)piperidin-2-one

1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]-4-(4-fluorophenyl)-4-(2-hydroxyethyl)piperidin-2-one (PubChem CID 67105262) has the molecular formula C25H21ClF3NO2 and a molecular weight of 459.90 g/mol. Its IUPAC name is 1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]-4-(4-fluorophenyl)-4-(2-hydroxyethyl)piperidin-2-one.

Molecular Properties

Compound Name1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]-4-(4-fluorophenyl)-4-(2-hydroxyethyl)piperidin-2-one
PubChem CID67105262
Molecular FormulaC25H21ClF3NO2
Molecular Weight459.90 g/mol
Exact Mass459.12
IUPAC Name1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]-4-(4-fluorophenyl)-4-(2-hydroxyethyl)piperidin-2-one
SMILESO=C1CC(CCO)(c2ccc(F)cc2)CCN1c1ccc(F)c(-c2ccc(F)cc2Cl)c1
InChIInChI=1S/C25H21ClF3NO2/c26-22-13-18(28)5-7-20(22)21-14-19(6-8-23(21)29)30-11-9-25(10-12-31,15-24(30)32)16-1-3-17(27)4-2-16/h1-8,13-14,31H,9-12,15H2
InChIKeyMVPKUBPMVFTNBF-UHFFFAOYSA-N
XLogP5.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.90
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]-4-(4-fluorophenyl)-4-(2-hydroxyethyl)piperidin-2-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 1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]-4-(4-fluorophenyl)-4-(2-hydroxyethyl)piperidin-2-one?
The IUPAC name of 1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]-4-(4-fluorophenyl)-4-(2-hydroxyethyl)piperidin-2-one (CID 67105262) is 1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]-4-(4-fluorophenyl)-4-(2-hydroxyethyl)piperidin-2-one.
What is the SMILES notation for 1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]-4-(4-fluorophenyl)-4-(2-hydroxyethyl)piperidin-2-one?
The canonical SMILES for 1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]-4-(4-fluorophenyl)-4-(2-hydroxyethyl)piperidin-2-one is O=C1CC(CCO)(c2ccc(F)cc2)CCN1c1ccc(F)c(-c2ccc(F)cc2Cl)c1.
What is the InChIKey of 1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]-4-(4-fluorophenyl)-4-(2-hydroxyethyl)piperidin-2-one?
The InChIKey is MVPKUBPMVFTNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF3NO2/c26-22-13-18(28)5-7-20(22)21-14-19(6-8-23(21)29)30-11-9-25(10-12-31,15-24(30)32)16-1-3-17(27)4-2-16/h1-8,13-14,31H,9-12,15H2.
What are the key properties of 1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]-4-(4-fluorophenyl)-4-(2-hydroxyethyl)piperidin-2-one?
1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]-4-(4-fluorophenyl)-4-(2-hydroxyethyl)piperidin-2-one has a molecular weight of 459.90 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]-4-(4-fluorophenyl)-4-(2-hydroxyethyl)piperidin-2-one is sourced from PubChem (CID 67105262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).