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

C26H25ClF3NO — CID 24782912

IUPAC4-[[3-(4-chlorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C26H25ClF3NO/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
InChIKeyBGJRNIULMOQHMR-UHFFFAOYSA-N
MW459.94 g/mol
LogP6.86
Rot. Bonds6

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

4-[[3-(4-chlorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine (PubChem CID 24782912) has the molecular formula C26H25ClF3NO and a molecular weight of 459.94 g/mol. Its IUPAC name is 4-[[3-(4-chlorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine.

Molecular Properties

Compound Name4-[[3-(4-chlorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
PubChem CID24782912
Molecular FormulaC26H25ClF3NO
Molecular Weight459.94 g/mol
Exact Mass459.16
IUPAC Name4-[[3-(4-chlorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C26H25ClF3NO/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
InChIKeyBGJRNIULMOQHMR-UHFFFAOYSA-N
XLogP6.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.94
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-chlorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The IUPAC name of 4-[[3-(4-chlorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine (CID 24782912) is 4-[[3-(4-chlorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine.
What is the SMILES notation for 4-[[3-(4-chlorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The canonical SMILES for 4-[[3-(4-chlorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine is FC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-[[3-(4-chlorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The InChIKey is BGJRNIULMOQHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClF3NO/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-chlorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
4-[[3-(4-chlorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine has a molecular weight of 459.94 g/mol, XLogP of 6.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-chlorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine is sourced from PubChem (CID 24782912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).