bis(4-fluorophenyl)-[1-[3-(4-methoxyphenoxy)propyl]piperidin-4-yl]methanol

C28H31F2NO3 — CID 23036341

IUPACbis(4-fluorophenyl)-[1-[3-(4-methoxyphenoxy)propyl]piperidin-4-yl]methanol
SMILESCOc1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C28H31F2NO3/c1-33-26-11-13-27(14-12-26)34-20-2-17-31-18-15-23(16-19-31)28(32,21-3-7-24(29)8-4-21)22-5-9-25(30)10-6-22/h3-14,23,32H,2,15-20H2,1H3
InChIKeyWGGVFRHTPFPFLE-UHFFFAOYSA-N
MW467.56 g/mol
LogP5.39
Rot. Bonds9

About bis(4-fluorophenyl)-[1-[3-(4-methoxyphenoxy)propyl]piperidin-4-yl]methanol

bis(4-fluorophenyl)-[1-[3-(4-methoxyphenoxy)propyl]piperidin-4-yl]methanol (PubChem CID 23036341) has the molecular formula C28H31F2NO3 and a molecular weight of 467.56 g/mol. Its IUPAC name is bis(4-fluorophenyl)-[1-[3-(4-methoxyphenoxy)propyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Namebis(4-fluorophenyl)-[1-[3-(4-methoxyphenoxy)propyl]piperidin-4-yl]methanol
PubChem CID23036341
Molecular FormulaC28H31F2NO3
Molecular Weight467.56 g/mol
Exact Mass467.23
IUPAC Namebis(4-fluorophenyl)-[1-[3-(4-methoxyphenoxy)propyl]piperidin-4-yl]methanol
SMILESCOc1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C28H31F2NO3/c1-33-26-11-13-27(14-12-26)34-20-2-17-31-18-15-23(16-19-31)28(32,21-3-7-24(29)8-4-21)22-5-9-25(30)10-6-22/h3-14,23,32H,2,15-20H2,1H3
InChIKeyWGGVFRHTPFPFLE-UHFFFAOYSA-N
XLogP5.39
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.56
LogP ≤ 55.39
H-Bond Donors ≤ 51
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 bis(4-fluorophenyl)-[1-[3-(4-methoxyphenoxy)propyl]piperidin-4-yl]methanol?
The IUPAC name of bis(4-fluorophenyl)-[1-[3-(4-methoxyphenoxy)propyl]piperidin-4-yl]methanol (CID 23036341) is bis(4-fluorophenyl)-[1-[3-(4-methoxyphenoxy)propyl]piperidin-4-yl]methanol.
What is the SMILES notation for bis(4-fluorophenyl)-[1-[3-(4-methoxyphenoxy)propyl]piperidin-4-yl]methanol?
The canonical SMILES for bis(4-fluorophenyl)-[1-[3-(4-methoxyphenoxy)propyl]piperidin-4-yl]methanol is COc1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of bis(4-fluorophenyl)-[1-[3-(4-methoxyphenoxy)propyl]piperidin-4-yl]methanol?
The InChIKey is WGGVFRHTPFPFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F2NO3/c1-33-26-11-13-27(14-12-26)34-20-2-17-31-18-15-23(16-19-31)28(32,21-3-7-24(29)8-4-21)22-5-9-25(30)10-6-22/h3-14,23,32H,2,15-20H2,1H3.
What are the key properties of bis(4-fluorophenyl)-[1-[3-(4-methoxyphenoxy)propyl]piperidin-4-yl]methanol?
bis(4-fluorophenyl)-[1-[3-(4-methoxyphenoxy)propyl]piperidin-4-yl]methanol has a molecular weight of 467.56 g/mol, XLogP of 5.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-[1-[3-(4-methoxyphenoxy)propyl]piperidin-4-yl]methanol is sourced from PubChem (CID 23036341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).