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

C27H29F2NO2 — CID 14407070

IUPACbis(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methanol
SMILESOC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CCN(CCCOc2ccccc2)CC1
InChIInChI=1S/C27H29F2NO2/c28-24-11-7-21(8-12-24)27(31,22-9-13-25(29)14-10-22)23-15-18-30(19-16-23)17-4-20-32-26-5-2-1-3-6-26/h1-3,5-14,23,31H,4,15-20H2
InChIKeyZTPCPGLQHARQTG-UHFFFAOYSA-N
MW437.53 g/mol
LogP5.38
Rot. Bonds8

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

bis(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methanol (PubChem CID 14407070) has the molecular formula C27H29F2NO2 and a molecular weight of 437.53 g/mol. Its IUPAC name is bis(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Namebis(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methanol
PubChem CID14407070
Molecular FormulaC27H29F2NO2
Molecular Weight437.53 g/mol
Exact Mass437.22
IUPAC Namebis(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methanol
SMILESOC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CCN(CCCOc2ccccc2)CC1
InChIInChI=1S/C27H29F2NO2/c28-24-11-7-21(8-12-24)27(31,22-9-13-25(29)14-10-22)23-15-18-30(19-16-23)17-4-20-32-26-5-2-1-3-6-26/h1-3,5-14,23,31H,4,15-20H2
InChIKeyZTPCPGLQHARQTG-UHFFFAOYSA-N
XLogP5.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.53
LogP ≤ 55.38
H-Bond Donors ≤ 51
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 bis(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methanol?
The IUPAC name of bis(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methanol (CID 14407070) is bis(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methanol.
What is the SMILES notation for bis(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methanol?
The canonical SMILES for bis(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methanol is OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CCN(CCCOc2ccccc2)CC1.
What is the InChIKey of bis(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methanol?
The InChIKey is ZTPCPGLQHARQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2NO2/c28-24-11-7-21(8-12-24)27(31,22-9-13-25(29)14-10-22)23-15-18-30(19-16-23)17-4-20-32-26-5-2-1-3-6-26/h1-3,5-14,23,31H,4,15-20H2.
What are the key properties of bis(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methanol?
bis(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methanol has a molecular weight of 437.53 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methanol is sourced from PubChem (CID 14407070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).