4-[bis(4-fluorophenyl)methyl]-1-[3-(4-fluorophenoxy)propyl]piperidine

C27H28F3NO — CID 14407087

IUPAC4-[bis(4-fluorophenyl)methyl]-1-[3-(4-fluorophenoxy)propyl]piperidine
SMILESFc1ccc(OCCCN2CCC(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C27H28F3NO/c28-23-6-2-20(3-7-23)27(21-4-8-24(29)9-5-21)22-14-17-31(18-15-22)16-1-19-32-26-12-10-25(30)11-13-26/h2-13,22,27H,1,14-19H2
InChIKeyVMAGGRADYNFDSG-UHFFFAOYSA-N
MW439.52 g/mol
LogP6.42
Rot. Bonds8

About 4-[bis(4-fluorophenyl)methyl]-1-[3-(4-fluorophenoxy)propyl]piperidine

4-[bis(4-fluorophenyl)methyl]-1-[3-(4-fluorophenoxy)propyl]piperidine (PubChem CID 14407087) has the molecular formula C27H28F3NO and a molecular weight of 439.52 g/mol. Its IUPAC name is 4-[bis(4-fluorophenyl)methyl]-1-[3-(4-fluorophenoxy)propyl]piperidine.

Molecular Properties

Compound Name4-[bis(4-fluorophenyl)methyl]-1-[3-(4-fluorophenoxy)propyl]piperidine
PubChem CID14407087
Molecular FormulaC27H28F3NO
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name4-[bis(4-fluorophenyl)methyl]-1-[3-(4-fluorophenoxy)propyl]piperidine
SMILESFc1ccc(OCCCN2CCC(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C27H28F3NO/c28-23-6-2-20(3-7-23)27(21-4-8-24(29)9-5-21)22-14-17-31(18-15-22)16-1-19-32-26-12-10-25(30)11-13-26/h2-13,22,27H,1,14-19H2
InChIKeyVMAGGRADYNFDSG-UHFFFAOYSA-N
XLogP6.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[bis(4-fluorophenyl)methyl]-1-[3-(4-fluorophenoxy)propyl]piperidine?
The IUPAC name of 4-[bis(4-fluorophenyl)methyl]-1-[3-(4-fluorophenoxy)propyl]piperidine (CID 14407087) is 4-[bis(4-fluorophenyl)methyl]-1-[3-(4-fluorophenoxy)propyl]piperidine.
What is the SMILES notation for 4-[bis(4-fluorophenyl)methyl]-1-[3-(4-fluorophenoxy)propyl]piperidine?
The canonical SMILES for 4-[bis(4-fluorophenyl)methyl]-1-[3-(4-fluorophenoxy)propyl]piperidine is Fc1ccc(OCCCN2CCC(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-[bis(4-fluorophenyl)methyl]-1-[3-(4-fluorophenoxy)propyl]piperidine?
The InChIKey is VMAGGRADYNFDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3NO/c28-23-6-2-20(3-7-23)27(21-4-8-24(29)9-5-21)22-14-17-31(18-15-22)16-1-19-32-26-12-10-25(30)11-13-26/h2-13,22,27H,1,14-19H2.
What are the key properties of 4-[bis(4-fluorophenyl)methyl]-1-[3-(4-fluorophenoxy)propyl]piperidine?
4-[bis(4-fluorophenyl)methyl]-1-[3-(4-fluorophenoxy)propyl]piperidine has a molecular weight of 439.52 g/mol, XLogP of 6.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-fluorophenyl)methyl]-1-[3-(4-fluorophenoxy)propyl]piperidine is sourced from PubChem (CID 14407087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).