4-(4-methylphenyl)-4-phenylmethoxy-3-[(2,4,6-trifluorophenyl)methoxy]piperidine

C26H26F3NO2 — CID 142939158

IUPAC4-(4-methylphenyl)-4-phenylmethoxy-3-[(2,4,6-trifluorophenyl)methoxy]piperidine
SMILESCc1ccc(C2(OCc3ccccc3)CCNCC2OCc2c(F)cc(F)cc2F)cc1
InChIInChI=1S/C26H26F3NO2/c1-18-7-9-20(10-8-18)26(32-16-19-5-3-2-4-6-19)11-12-30-15-25(26)31-17-22-23(28)13-21(27)14-24(22)29/h2-10,13-14,25,30H,11-12,15-17H2,1H3
InChIKeyAZWUNKBUABKFJN-UHFFFAOYSA-N
MW441.49 g/mol
LogP5.40
Rot. Bonds7

About 4-(4-methylphenyl)-4-phenylmethoxy-3-[(2,4,6-trifluorophenyl)methoxy]piperidine

4-(4-methylphenyl)-4-phenylmethoxy-3-[(2,4,6-trifluorophenyl)methoxy]piperidine (PubChem CID 142939158) has the molecular formula C26H26F3NO2 and a molecular weight of 441.49 g/mol. Its IUPAC name is 4-(4-methylphenyl)-4-phenylmethoxy-3-[(2,4,6-trifluorophenyl)methoxy]piperidine.

Molecular Properties

Compound Name4-(4-methylphenyl)-4-phenylmethoxy-3-[(2,4,6-trifluorophenyl)methoxy]piperidine
PubChem CID142939158
Molecular FormulaC26H26F3NO2
Molecular Weight441.49 g/mol
Exact Mass441.19
IUPAC Name4-(4-methylphenyl)-4-phenylmethoxy-3-[(2,4,6-trifluorophenyl)methoxy]piperidine
SMILESCc1ccc(C2(OCc3ccccc3)CCNCC2OCc2c(F)cc(F)cc2F)cc1
InChIInChI=1S/C26H26F3NO2/c1-18-7-9-20(10-8-18)26(32-16-19-5-3-2-4-6-19)11-12-30-15-25(26)31-17-22-23(28)13-21(27)14-24(22)29/h2-10,13-14,25,30H,11-12,15-17H2,1H3
InChIKeyAZWUNKBUABKFJN-UHFFFAOYSA-N
XLogP5.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.49
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-methylphenyl)-4-phenylmethoxy-3-[(2,4,6-trifluorophenyl)methoxy]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 4-(4-methylphenyl)-4-phenylmethoxy-3-[(2,4,6-trifluorophenyl)methoxy]piperidine?
The IUPAC name of 4-(4-methylphenyl)-4-phenylmethoxy-3-[(2,4,6-trifluorophenyl)methoxy]piperidine (CID 142939158) is 4-(4-methylphenyl)-4-phenylmethoxy-3-[(2,4,6-trifluorophenyl)methoxy]piperidine.
What is the SMILES notation for 4-(4-methylphenyl)-4-phenylmethoxy-3-[(2,4,6-trifluorophenyl)methoxy]piperidine?
The canonical SMILES for 4-(4-methylphenyl)-4-phenylmethoxy-3-[(2,4,6-trifluorophenyl)methoxy]piperidine is Cc1ccc(C2(OCc3ccccc3)CCNCC2OCc2c(F)cc(F)cc2F)cc1.
What is the InChIKey of 4-(4-methylphenyl)-4-phenylmethoxy-3-[(2,4,6-trifluorophenyl)methoxy]piperidine?
The InChIKey is AZWUNKBUABKFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3NO2/c1-18-7-9-20(10-8-18)26(32-16-19-5-3-2-4-6-19)11-12-30-15-25(26)31-17-22-23(28)13-21(27)14-24(22)29/h2-10,13-14,25,30H,11-12,15-17H2,1H3.
What are the key properties of 4-(4-methylphenyl)-4-phenylmethoxy-3-[(2,4,6-trifluorophenyl)methoxy]piperidine?
4-(4-methylphenyl)-4-phenylmethoxy-3-[(2,4,6-trifluorophenyl)methoxy]piperidine has a molecular weight of 441.49 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-4-phenylmethoxy-3-[(2,4,6-trifluorophenyl)methoxy]piperidine is sourced from PubChem (CID 142939158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).