4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine

C28H28F5NO — CID 11006376

IUPAC4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFc1ccc(C(OCCC2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H28F5NO/c29-25-9-3-22(4-10-25)27(23-5-11-26(30)12-6-23)35-18-15-20-13-16-34(17-14-20)19-21-1-7-24(8-2-21)28(31,32)33/h1-12,20,27H,13-19H2
InChIKeyQJEBAPXHCKKADR-UHFFFAOYSA-N
MW489.53 g/mol
LogP7.39
Rot. Bonds8

About 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine

4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 11006376) has the molecular formula C28H28F5NO and a molecular weight of 489.53 g/mol. Its IUPAC name is 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID11006376
Molecular FormulaC28H28F5NO
Molecular Weight489.53 g/mol
Exact Mass489.21
IUPAC Name4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFc1ccc(C(OCCC2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H28F5NO/c29-25-9-3-22(4-10-25)27(23-5-11-26(30)12-6-23)35-18-15-20-13-16-34(17-14-20)19-21-1-7-24(8-2-21)28(31,32)33/h1-12,20,27H,13-19H2
InChIKeyQJEBAPXHCKKADR-UHFFFAOYSA-N
XLogP7.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.53
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine (CID 11006376) is 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine is Fc1ccc(C(OCCC2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is QJEBAPXHCKKADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F5NO/c29-25-9-3-22(4-10-25)27(23-5-11-26(30)12-6-23)35-18-15-20-13-16-34(17-14-20)19-21-1-7-24(8-2-21)28(31,32)33/h1-12,20,27H,13-19H2.
What are the key properties of 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 489.53 g/mol, XLogP of 7.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 11006376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).