2,6-dichloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine

C25H23Cl2F3N2O — CID 24782652

IUPAC2,6-dichloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccc(Cl)nc2Cl)c1
InChIInChI=1S/C25H23Cl2F3N2O/c26-22-7-6-21(23(27)32-22)18-12-17(13-20(14-18)25(28,29)30)15-33-16-24(8-10-31-11-9-24)19-4-2-1-3-5-19/h1-7,12-14,31H,8-11,15-16H2
InChIKeyPFIRBMFUMGRXSH-UHFFFAOYSA-N
MW495.37 g/mol
LogP6.91
Rot. Bonds6

About 2,6-dichloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine

2,6-dichloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine (PubChem CID 24782652) has the molecular formula C25H23Cl2F3N2O and a molecular weight of 495.37 g/mol. Its IUPAC name is 2,6-dichloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2,6-dichloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
PubChem CID24782652
Molecular FormulaC25H23Cl2F3N2O
Molecular Weight495.37 g/mol
Exact Mass494.11
IUPAC Name2,6-dichloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccc(Cl)nc2Cl)c1
InChIInChI=1S/C25H23Cl2F3N2O/c26-22-7-6-21(23(27)32-22)18-12-17(13-20(14-18)25(28,29)30)15-33-16-24(8-10-31-11-9-24)19-4-2-1-3-5-19/h1-7,12-14,31H,8-11,15-16H2
InChIKeyPFIRBMFUMGRXSH-UHFFFAOYSA-N
XLogP6.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.37
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,6-dichloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine 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 2,6-dichloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2,6-dichloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine (CID 24782652) is 2,6-dichloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2,6-dichloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2,6-dichloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccc(Cl)nc2Cl)c1.
What is the InChIKey of 2,6-dichloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The InChIKey is PFIRBMFUMGRXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2F3N2O/c26-22-7-6-21(23(27)32-22)18-12-17(13-20(14-18)25(28,29)30)15-33-16-24(8-10-31-11-9-24)19-4-2-1-3-5-19/h1-7,12-14,31H,8-11,15-16H2.
What are the key properties of 2,6-dichloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
2,6-dichloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine has a molecular weight of 495.37 g/mol, XLogP of 6.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 24782652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).