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

C28H31F2NO2 — CID 14407088

IUPAC4-[bis(4-fluorophenyl)methyl]-1-[3-(4-methoxyphenoxy)propyl]piperidine
SMILESCOc1ccc(OCCCN2CCC(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C28H31F2NO2/c1-32-26-11-13-27(14-12-26)33-20-2-17-31-18-15-23(16-19-31)28(21-3-7-24(29)8-4-21)22-5-9-25(30)10-6-22/h3-14,23,28H,2,15-20H2,1H3
InChIKeyBPPKFKDLVHEQBC-UHFFFAOYSA-N
MW451.56 g/mol
LogP6.29
Rot. Bonds9

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

4-[bis(4-fluorophenyl)methyl]-1-[3-(4-methoxyphenoxy)propyl]piperidine (PubChem CID 14407088) has the molecular formula C28H31F2NO2 and a molecular weight of 451.56 g/mol. Its IUPAC name is 4-[bis(4-fluorophenyl)methyl]-1-[3-(4-methoxyphenoxy)propyl]piperidine.

Molecular Properties

Compound Name4-[bis(4-fluorophenyl)methyl]-1-[3-(4-methoxyphenoxy)propyl]piperidine
PubChem CID14407088
Molecular FormulaC28H31F2NO2
Molecular Weight451.56 g/mol
Exact Mass451.23
IUPAC Name4-[bis(4-fluorophenyl)methyl]-1-[3-(4-methoxyphenoxy)propyl]piperidine
SMILESCOc1ccc(OCCCN2CCC(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C28H31F2NO2/c1-32-26-11-13-27(14-12-26)33-20-2-17-31-18-15-23(16-19-31)28(21-3-7-24(29)8-4-21)22-5-9-25(30)10-6-22/h3-14,23,28H,2,15-20H2,1H3
InChIKeyBPPKFKDLVHEQBC-UHFFFAOYSA-N
XLogP6.29
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.56
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxyphenoxy)propyl]piperidine?
The IUPAC name of 4-[bis(4-fluorophenyl)methyl]-1-[3-(4-methoxyphenoxy)propyl]piperidine (CID 14407088) is 4-[bis(4-fluorophenyl)methyl]-1-[3-(4-methoxyphenoxy)propyl]piperidine.
What is the SMILES notation for 4-[bis(4-fluorophenyl)methyl]-1-[3-(4-methoxyphenoxy)propyl]piperidine?
The canonical SMILES for 4-[bis(4-fluorophenyl)methyl]-1-[3-(4-methoxyphenoxy)propyl]piperidine is COc1ccc(OCCCN2CCC(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-[bis(4-fluorophenyl)methyl]-1-[3-(4-methoxyphenoxy)propyl]piperidine?
The InChIKey is BPPKFKDLVHEQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F2NO2/c1-32-26-11-13-27(14-12-26)33-20-2-17-31-18-15-23(16-19-31)28(21-3-7-24(29)8-4-21)22-5-9-25(30)10-6-22/h3-14,23,28H,2,15-20H2,1H3.
What are the key properties of 4-[bis(4-fluorophenyl)methyl]-1-[3-(4-methoxyphenoxy)propyl]piperidine?
4-[bis(4-fluorophenyl)methyl]-1-[3-(4-methoxyphenoxy)propyl]piperidine has a molecular weight of 451.56 g/mol, XLogP of 6.29, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-fluorophenyl)methyl]-1-[3-(4-methoxyphenoxy)propyl]piperidine is sourced from PubChem (CID 14407088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).