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

C28H30F3NO — CID 24783425

IUPAC4-[[3-(3,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
SMILESCc1cc(C)cc(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C28H30F3NO/c1-20-12-21(2)14-23(13-20)24-15-22(16-26(17-24)28(29,30)31)18-33-19-27(8-10-32-11-9-27)25-6-4-3-5-7-25/h3-7,12-17,32H,8-11,18-19H2,1-2H3
InChIKeyKOUZPTATGIAHEJ-UHFFFAOYSA-N
MW453.55 g/mol
LogP6.83
Rot. Bonds6

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

4-[[3-(3,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine (PubChem CID 24783425) has the molecular formula C28H30F3NO and a molecular weight of 453.55 g/mol. Its IUPAC name is 4-[[3-(3,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine.

Molecular Properties

Compound Name4-[[3-(3,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
PubChem CID24783425
Molecular FormulaC28H30F3NO
Molecular Weight453.55 g/mol
Exact Mass453.23
IUPAC Name4-[[3-(3,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
SMILESCc1cc(C)cc(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C28H30F3NO/c1-20-12-21(2)14-23(13-20)24-15-22(16-26(17-24)28(29,30)31)18-33-19-27(8-10-32-11-9-27)25-6-4-3-5-7-25/h3-7,12-17,32H,8-11,18-19H2,1-2H3
InChIKeyKOUZPTATGIAHEJ-UHFFFAOYSA-N
XLogP6.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.55
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The IUPAC name of 4-[[3-(3,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine (CID 24783425) is 4-[[3-(3,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine.
What is the SMILES notation for 4-[[3-(3,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The canonical SMILES for 4-[[3-(3,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine is Cc1cc(C)cc(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)c1.
What is the InChIKey of 4-[[3-(3,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The InChIKey is KOUZPTATGIAHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3NO/c1-20-12-21(2)14-23(13-20)24-15-22(16-26(17-24)28(29,30)31)18-33-19-27(8-10-32-11-9-27)25-6-4-3-5-7-25/h3-7,12-17,32H,8-11,18-19H2,1-2H3.
What are the key properties of 4-[[3-(3,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
4-[[3-(3,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine has a molecular weight of 453.55 g/mol, XLogP of 6.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3,5-dimethylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine is sourced from PubChem (CID 24783425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).