4-[[3-(4-fluorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine

C26H25F4NO — CID 24782911

IUPAC4-[[3-(4-fluorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
SMILESFc1ccc(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C26H25F4NO/c27-24-8-6-20(7-9-24)21-14-19(15-23(16-21)26(28,29)30)17-32-18-25(10-12-31-13-11-25)22-4-2-1-3-5-22/h1-9,14-16,31H,10-13,17-18H2
InChIKeyJSPOESIPSSVBCT-UHFFFAOYSA-N
MW443.48 g/mol
LogP6.35
Rot. Bonds6

About 4-[[3-(4-fluorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine

4-[[3-(4-fluorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine (PubChem CID 24782911) has the molecular formula C26H25F4NO and a molecular weight of 443.48 g/mol. Its IUPAC name is 4-[[3-(4-fluorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine.

Molecular Properties

Compound Name4-[[3-(4-fluorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
PubChem CID24782911
Molecular FormulaC26H25F4NO
Molecular Weight443.48 g/mol
Exact Mass443.19
IUPAC Name4-[[3-(4-fluorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
SMILESFc1ccc(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C26H25F4NO/c27-24-8-6-20(7-9-24)21-14-19(15-23(16-21)26(28,29)30)17-32-18-25(10-12-31-13-11-25)22-4-2-1-3-5-22/h1-9,14-16,31H,10-13,17-18H2
InChIKeyJSPOESIPSSVBCT-UHFFFAOYSA-N
XLogP6.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.48
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-fluorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The IUPAC name of 4-[[3-(4-fluorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine (CID 24782911) is 4-[[3-(4-fluorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine.
What is the SMILES notation for 4-[[3-(4-fluorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The canonical SMILES for 4-[[3-(4-fluorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine is Fc1ccc(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-[[3-(4-fluorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The InChIKey is JSPOESIPSSVBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F4NO/c27-24-8-6-20(7-9-24)21-14-19(15-23(16-21)26(28,29)30)17-32-18-25(10-12-31-13-11-25)22-4-2-1-3-5-22/h1-9,14-16,31H,10-13,17-18H2.
What are the key properties of 4-[[3-(4-fluorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
4-[[3-(4-fluorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine has a molecular weight of 443.48 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-fluorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine is sourced from PubChem (CID 24782911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).