1-[(2-fluorophenyl)methyl]-4-[[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine

C23H23F4N3O — CID 70077270

IUPAC1-[(2-fluorophenyl)methyl]-4-[[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine
SMILESFc1ccccc1CN1CCC(COc2nc(C(F)(F)F)cn2-c2ccccc2)CC1
InChIInChI=1S/C23H23F4N3O/c24-20-9-5-4-6-18(20)14-29-12-10-17(11-13-29)16-31-22-28-21(23(25,26)27)15-30(22)19-7-2-1-3-8-19/h1-9,15,17H,10-14,16H2
InChIKeyKQAYOMSRGVJJQR-UHFFFAOYSA-N
MW433.45 g/mol
LogP5.32
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-4-[[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine

1-[(2-fluorophenyl)methyl]-4-[[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine (PubChem CID 70077270) has the molecular formula C23H23F4N3O and a molecular weight of 433.45 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-[[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-[[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine
PubChem CID70077270
Molecular FormulaC23H23F4N3O
Molecular Weight433.45 g/mol
Exact Mass433.18
IUPAC Name1-[(2-fluorophenyl)methyl]-4-[[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine
SMILESFc1ccccc1CN1CCC(COc2nc(C(F)(F)F)cn2-c2ccccc2)CC1
InChIInChI=1S/C23H23F4N3O/c24-20-9-5-4-6-18(20)14-29-12-10-17(11-13-29)16-31-22-28-21(23(25,26)27)15-30(22)19-7-2-1-3-8-19/h1-9,15,17H,10-14,16H2
InChIKeyKQAYOMSRGVJJQR-UHFFFAOYSA-N
XLogP5.32
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.45
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2-fluorophenyl)methyl]-4-[[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine 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-[(2-fluorophenyl)methyl]-4-[[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-[[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine (CID 70077270) is 1-[(2-fluorophenyl)methyl]-4-[[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-[[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-[[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine is Fc1ccccc1CN1CCC(COc2nc(C(F)(F)F)cn2-c2ccccc2)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-[[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine?
The InChIKey is KQAYOMSRGVJJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F4N3O/c24-20-9-5-4-6-18(20)14-29-12-10-17(11-13-29)16-31-22-28-21(23(25,26)27)15-30(22)19-7-2-1-3-8-19/h1-9,15,17H,10-14,16H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-[[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine?
1-[(2-fluorophenyl)methyl]-4-[[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine has a molecular weight of 433.45 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-[[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine is sourced from PubChem (CID 70077270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).