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

C26H25ClF3NO — CID 24783930

IUPAC4-[[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccccc2Cl)c1
InChIInChI=1S/C26H25ClF3NO/c27-24-9-5-4-8-23(24)20-14-19(15-22(16-20)26(28,29)30)17-32-18-25(10-12-31-13-11-25)21-6-2-1-3-7-21/h1-9,14-16,31H,10-13,17-18H2
InChIKeyPTYBQAYYRZLFJE-UHFFFAOYSA-N
MW459.94 g/mol
LogP6.86
Rot. Bonds6

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

4-[[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine (PubChem CID 24783930) has the molecular formula C26H25ClF3NO and a molecular weight of 459.94 g/mol. Its IUPAC name is 4-[[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine.

Molecular Properties

Compound Name4-[[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
PubChem CID24783930
Molecular FormulaC26H25ClF3NO
Molecular Weight459.94 g/mol
Exact Mass459.16
IUPAC Name4-[[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccccc2Cl)c1
InChIInChI=1S/C26H25ClF3NO/c27-24-9-5-4-8-23(24)20-14-19(15-22(16-20)26(28,29)30)17-32-18-25(10-12-31-13-11-25)21-6-2-1-3-7-21/h1-9,14-16,31H,10-13,17-18H2
InChIKeyPTYBQAYYRZLFJE-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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Related Compounds

4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phenyl-piperidine
CID 10047566
3'-(((4-Phenylpiperidin-4-yl)methoxy)methyl)-5'-(trifluoromethyl)biphenyl-4-carbonitrile
CID 24785978
4-(3,5-Dichloro-benzyloxymethyl)-4-phenyl-piperidine
CID 10360490
4-Phenyl-4-(3-trifluoromethyl-benzyloxymethyl)-piperidine
CID 10620143
4-Phenyl-4-(4-trifluoromethyl-benzyloxymethyl)-piperidine
CID 19960248
4-[[3-Naphthalen-1-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 24782658
4-[[3-(4-Fluorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 24782911
4-[[3-(4-Chlorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 24782912
4-[[3-(4-Methylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 24782913
4-[[3-(3-Methylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 24782915
4-[[3-(2-Methylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 24783421
4-Phenyl-4-[[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]methoxymethyl]piperidine
CID 24783424

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The IUPAC name of 4-[[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine (CID 24783930) is 4-[[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine.
What is the SMILES notation for 4-[[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The canonical SMILES for 4-[[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine is FC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccccc2Cl)c1.
What is the InChIKey of 4-[[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The InChIKey is PTYBQAYYRZLFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClF3NO/c27-24-9-5-4-8-23(24)20-14-19(15-22(16-20)26(28,29)30)17-32-18-25(10-12-31-13-11-25)21-6-2-1-3-7-21/h1-9,14-16,31H,10-13,17-18H2.
What are the key properties of 4-[[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
4-[[3-(2-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-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine is sourced from PubChem (CID 24783930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).