4-[bis(4-fluorophenyl)methoxy]-1-propan-2-ylpiperidine

C21H25F2NO — CID 86294716

IUPAC4-[bis(4-fluorophenyl)methoxy]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H25F2NO/c1-15(2)24-13-11-20(12-14-24)25-21(16-3-7-18(22)8-4-16)17-5-9-19(23)10-6-17/h3-10,15,20-21H,11-14H2,1-2H3
InChIKeyAZMSQWMLFCBUCY-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.94
Rot. Bonds5

About 4-[bis(4-fluorophenyl)methoxy]-1-propan-2-ylpiperidine

4-[bis(4-fluorophenyl)methoxy]-1-propan-2-ylpiperidine (PubChem CID 86294716) has the molecular formula C21H25F2NO and a molecular weight of 345.43 g/mol. Its IUPAC name is 4-[bis(4-fluorophenyl)methoxy]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[bis(4-fluorophenyl)methoxy]-1-propan-2-ylpiperidine
PubChem CID86294716
Molecular FormulaC21H25F2NO
Molecular Weight345.43 g/mol
Exact Mass345.19
IUPAC Name4-[bis(4-fluorophenyl)methoxy]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H25F2NO/c1-15(2)24-13-11-20(12-14-24)25-21(16-3-7-18(22)8-4-16)17-5-9-19(23)10-6-17/h3-10,15,20-21H,11-14H2,1-2H3
InChIKeyAZMSQWMLFCBUCY-UHFFFAOYSA-N
XLogP4.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-fluorophenyl)methoxy]-1-propan-2-ylpiperidine?
The IUPAC name of 4-[bis(4-fluorophenyl)methoxy]-1-propan-2-ylpiperidine (CID 86294716) is 4-[bis(4-fluorophenyl)methoxy]-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[bis(4-fluorophenyl)methoxy]-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[bis(4-fluorophenyl)methoxy]-1-propan-2-ylpiperidine is CC(C)N1CCC(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[bis(4-fluorophenyl)methoxy]-1-propan-2-ylpiperidine?
The InChIKey is AZMSQWMLFCBUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2NO/c1-15(2)24-13-11-20(12-14-24)25-21(16-3-7-18(22)8-4-16)17-5-9-19(23)10-6-17/h3-10,15,20-21H,11-14H2,1-2H3.
What are the key properties of 4-[bis(4-fluorophenyl)methoxy]-1-propan-2-ylpiperidine?
4-[bis(4-fluorophenyl)methoxy]-1-propan-2-ylpiperidine has a molecular weight of 345.43 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-fluorophenyl)methoxy]-1-propan-2-ylpiperidine is sourced from PubChem (CID 86294716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).