4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine

C25H26ClF6NO — CID 10196005

IUPAC4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine
SMILESFC(F)(F)c1cc(COC2CCN(CC3(c4ccc(Cl)cc4)CCC3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C25H26ClF6NO/c26-21-4-2-18(3-5-21)23(8-1-9-23)16-33-10-6-22(7-11-33)34-15-17-12-19(24(27,28)29)14-20(13-17)25(30,31)32/h2-5,12-14,22H,1,6-11,15-16H2
InChIKeyNCLYWVZCOZXZKL-UHFFFAOYSA-N
MW505.93 g/mol
LogP7.48
Rot. Bonds6

About 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine

4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine (PubChem CID 10196005) has the molecular formula C25H26ClF6NO and a molecular weight of 505.93 g/mol. Its IUPAC name is 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine
PubChem CID10196005
Molecular FormulaC25H26ClF6NO
Molecular Weight505.93 g/mol
Exact Mass505.16
IUPAC Name4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine
SMILESFC(F)(F)c1cc(COC2CCN(CC3(c4ccc(Cl)cc4)CCC3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C25H26ClF6NO/c26-21-4-2-18(3-5-21)23(8-1-9-23)16-33-10-6-22(7-11-33)34-15-17-12-19(24(27,28)29)14-20(13-17)25(30,31)32/h2-5,12-14,22H,1,6-11,15-16H2
InChIKeyNCLYWVZCOZXZKL-UHFFFAOYSA-N
XLogP7.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.93
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine?
The IUPAC name of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine (CID 10196005) is 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine.
What is the SMILES notation for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine?
The canonical SMILES for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine is FC(F)(F)c1cc(COC2CCN(CC3(c4ccc(Cl)cc4)CCC3)CC2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine?
The InChIKey is NCLYWVZCOZXZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClF6NO/c26-21-4-2-18(3-5-21)23(8-1-9-23)16-33-10-6-22(7-11-33)34-15-17-12-19(24(27,28)29)14-20(13-17)25(30,31)32/h2-5,12-14,22H,1,6-11,15-16H2.
What are the key properties of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine?
4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine has a molecular weight of 505.93 g/mol, XLogP of 7.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine is sourced from PubChem (CID 10196005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).