4-phenyl-4-[[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]methoxymethyl]piperidine

C27H25F6NO — CID 24783424

IUPAC4-phenyl-4-[[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]methoxymethyl]piperidine
SMILESFC(F)(F)c1ccc(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C27H25F6NO/c28-26(29,30)23-8-6-20(7-9-23)21-14-19(15-24(16-21)27(31,32)33)17-35-18-25(10-12-34-13-11-25)22-4-2-1-3-5-22/h1-9,14-16,34H,10-13,17-18H2
InChIKeyJJNCMVRANOZYSH-UHFFFAOYSA-N
MW493.49 g/mol
LogP7.23
Rot. Bonds6

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

4-phenyl-4-[[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]methoxymethyl]piperidine (PubChem CID 24783424) has the molecular formula C27H25F6NO and a molecular weight of 493.49 g/mol. Its IUPAC name is 4-phenyl-4-[[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]methoxymethyl]piperidine.

Molecular Properties

Compound Name4-phenyl-4-[[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]methoxymethyl]piperidine
PubChem CID24783424
Molecular FormulaC27H25F6NO
Molecular Weight493.49 g/mol
Exact Mass493.18
IUPAC Name4-phenyl-4-[[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]methoxymethyl]piperidine
SMILESFC(F)(F)c1ccc(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C27H25F6NO/c28-26(29,30)23-8-6-20(7-9-23)21-14-19(15-24(16-21)27(31,32)33)17-35-18-25(10-12-34-13-11-25)22-4-2-1-3-5-22/h1-9,14-16,34H,10-13,17-18H2
InChIKeyJJNCMVRANOZYSH-UHFFFAOYSA-N
XLogP7.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.49
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-phenyl-4-[[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]methoxymethyl]piperidine with MolForge

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Related Compounds

Litoxetine
CID 65650
4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phenyl-piperidine
CID 10047566
(R)-3-((1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-N-benzyl-3-phenylcyclobutanamine
CID 10128366
4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-1-methyl-4-phenyl-piperidine
CID 10502796
4-[[3-(4-Methoxyphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 24782914
3'-(((1-Methyl-4-phenylpiperidin-4-yl)methoxy)methyl)-5'-(trifluoromethyl)biphenyl-4-carbonitrile
CID 24785717
3'-(((4-Phenylpiperidin-4-yl)methoxy)methyl)-5'-(trifluoromethyl)biphenyl-4-carbonitrile
CID 24785978
4-[3-[(4-Phenyl-1-propan-2-ylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]benzonitrile
CID 58993465
2,6-Difluoro-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]benzonitrile
CID 58993533
3'-(((1-Ethyl-4-phenylpiperidin-4-yl)methoxy)methyl)-5'-(trifluoromethyl)biphenyl-4-carbonitrile
CID 58993578
2,5-Difluoro-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]benzonitrile
CID 58993655
3-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperidine
CID 10364638

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4-[[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]methoxymethyl]piperidine?
The IUPAC name of 4-phenyl-4-[[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]methoxymethyl]piperidine (CID 24783424) is 4-phenyl-4-[[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]methoxymethyl]piperidine.
What is the SMILES notation for 4-phenyl-4-[[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]methoxymethyl]piperidine?
The canonical SMILES for 4-phenyl-4-[[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]methoxymethyl]piperidine is FC(F)(F)c1ccc(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-phenyl-4-[[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]methoxymethyl]piperidine?
The InChIKey is JJNCMVRANOZYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F6NO/c28-26(29,30)23-8-6-20(7-9-23)21-14-19(15-24(16-21)27(31,32)33)17-35-18-25(10-12-34-13-11-25)22-4-2-1-3-5-22/h1-9,14-16,34H,10-13,17-18H2.
What are the key properties of 4-phenyl-4-[[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]methoxymethyl]piperidine?
4-phenyl-4-[[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]methoxymethyl]piperidine has a molecular weight of 493.49 g/mol, XLogP of 7.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4-[[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]phenyl]methoxymethyl]piperidine is sourced from PubChem (CID 24783424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).