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

C27H28F3NO2 — CID 24783683

IUPAC4-[[3-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
SMILESCOc1ccccc1-c1cc(COCC2(c3ccccc3)CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C27H28F3NO2/c1-32-25-10-6-5-9-24(25)21-15-20(16-23(17-21)27(28,29)30)18-33-19-26(11-13-31-14-12-26)22-7-3-2-4-8-22/h2-10,15-17,31H,11-14,18-19H2,1H3
InChIKeyHNTNXUWJIDLFAO-UHFFFAOYSA-N
MW455.52 g/mol
LogP6.22
Rot. Bonds7

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

4-[[3-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine (PubChem CID 24783683) has the molecular formula C27H28F3NO2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 4-[[3-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine.

Molecular Properties

Compound Name4-[[3-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
PubChem CID24783683
Molecular FormulaC27H28F3NO2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name4-[[3-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
SMILESCOc1ccccc1-c1cc(COCC2(c3ccccc3)CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C27H28F3NO2/c1-32-25-10-6-5-9-24(25)21-15-20(16-23(17-21)27(28,29)30)18-33-19-26(11-13-31-14-12-26)22-7-3-2-4-8-22/h2-10,15-17,31H,11-14,18-19H2,1H3
InChIKeyHNTNXUWJIDLFAO-UHFFFAOYSA-N
XLogP6.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.52
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The IUPAC name of 4-[[3-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine (CID 24783683) is 4-[[3-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine.
What is the SMILES notation for 4-[[3-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The canonical SMILES for 4-[[3-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine is COc1ccccc1-c1cc(COCC2(c3ccccc3)CCNCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[[3-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The InChIKey is HNTNXUWJIDLFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3NO2/c1-32-25-10-6-5-9-24(25)21-15-20(16-23(17-21)27(28,29)30)18-33-19-26(11-13-31-14-12-26)22-7-3-2-4-8-22/h2-10,15-17,31H,11-14,18-19H2,1H3.
What are the key properties of 4-[[3-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
4-[[3-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine has a molecular weight of 455.52 g/mol, XLogP of 6.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine is sourced from PubChem (CID 24783683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).