4-[(4-fluorophenyl)methoxy]-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]piperidine

C22H25F4NO3 — CID 10137339

IUPAC4-[(4-fluorophenyl)methoxy]-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]piperidine
SMILESFc1ccc(COC2CCN(CCCOc3ccc(OC(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C22H25F4NO3/c23-18-4-2-17(3-5-18)16-29-20-10-13-27(14-11-20)12-1-15-28-19-6-8-21(9-7-19)30-22(24,25)26/h2-9,20H,1,10-16H2
InChIKeyLIDLYJOTDKPRCN-UHFFFAOYSA-N
MW427.44 g/mol
LogP5.17
Rot. Bonds9

About 4-[(4-fluorophenyl)methoxy]-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]piperidine

4-[(4-fluorophenyl)methoxy]-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]piperidine (PubChem CID 10137339) has the molecular formula C22H25F4NO3 and a molecular weight of 427.44 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]piperidine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]piperidine
PubChem CID10137339
Molecular FormulaC22H25F4NO3
Molecular Weight427.44 g/mol
Exact Mass427.18
IUPAC Name4-[(4-fluorophenyl)methoxy]-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]piperidine
SMILESFc1ccc(COC2CCN(CCCOc3ccc(OC(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C22H25F4NO3/c23-18-4-2-17(3-5-18)16-29-20-10-13-27(14-11-20)12-1-15-28-19-6-8-21(9-7-19)30-22(24,25)26/h2-9,20H,1,10-16H2
InChIKeyLIDLYJOTDKPRCN-UHFFFAOYSA-N
XLogP5.17
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.44
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]piperidine?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]piperidine (CID 10137339) is 4-[(4-fluorophenyl)methoxy]-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]piperidine.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]piperidine?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]piperidine is Fc1ccc(COC2CCN(CCCOc3ccc(OC(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]piperidine?
The InChIKey is LIDLYJOTDKPRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F4NO3/c23-18-4-2-17(3-5-18)16-29-20-10-13-27(14-11-20)12-1-15-28-19-6-8-21(9-7-19)30-22(24,25)26/h2-9,20H,1,10-16H2.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]piperidine?
4-[(4-fluorophenyl)methoxy]-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]piperidine has a molecular weight of 427.44 g/mol, XLogP of 5.17, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]piperidine is sourced from PubChem (CID 10137339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).