4-[[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine

C27H28F3NO — CID 24783421

IUPAC4-[[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
SMILESCc1ccccc1-c1cc(COCC2(c3ccccc3)CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C27H28F3NO/c1-20-7-5-6-10-25(20)22-15-21(16-24(17-22)27(28,29)30)18-32-19-26(11-13-31-14-12-26)23-8-3-2-4-9-23/h2-10,15-17,31H,11-14,18-19H2,1H3
InChIKeyOYMXEHPKUAGZNE-UHFFFAOYSA-N
MW439.52 g/mol
LogP6.52
Rot. Bonds6

About 4-[[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine

4-[[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine (PubChem CID 24783421) has the molecular formula C27H28F3NO and a molecular weight of 439.52 g/mol. Its IUPAC name is 4-[[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine.

Molecular Properties

Compound Name4-[[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
PubChem CID24783421
Molecular FormulaC27H28F3NO
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name4-[[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
SMILESCc1ccccc1-c1cc(COCC2(c3ccccc3)CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C27H28F3NO/c1-20-7-5-6-10-25(20)22-15-21(16-24(17-22)27(28,29)30)18-32-19-26(11-13-31-14-12-26)23-8-3-2-4-9-23/h2-10,15-17,31H,11-14,18-19H2,1H3
InChIKeyOYMXEHPKUAGZNE-UHFFFAOYSA-N
XLogP6.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The IUPAC name of 4-[[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine (CID 24783421) is 4-[[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine.
What is the SMILES notation for 4-[[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The canonical SMILES for 4-[[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine is Cc1ccccc1-c1cc(COCC2(c3ccccc3)CCNCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The InChIKey is OYMXEHPKUAGZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3NO/c1-20-7-5-6-10-25(20)22-15-21(16-24(17-22)27(28,29)30)18-32-19-26(11-13-31-14-12-26)23-8-3-2-4-9-23/h2-10,15-17,31H,11-14,18-19H2,1H3.
What are the key properties of 4-[[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
4-[[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine has a molecular weight of 439.52 g/mol, XLogP of 6.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine is sourced from PubChem (CID 24783421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).