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

C27H28F3NO2 — CID 23036286

IUPAC[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CCN(CCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C27H28F3NO2/c28-23-6-2-20(3-7-23)27(32,21-4-8-24(29)9-5-21)22-14-17-31(18-15-22)16-1-19-33-26-12-10-25(30)11-13-26/h2-13,22,32H,1,14-19H2
InChIKeyWUDDENHOGSEFMQ-UHFFFAOYSA-N
MW455.52 g/mol
LogP5.52
Rot. Bonds8

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

[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol (PubChem CID 23036286) has the molecular formula C27H28F3NO2 and a molecular weight of 455.52 g/mol. Its IUPAC name is [1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol
PubChem CID23036286
Molecular FormulaC27H28F3NO2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CCN(CCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C27H28F3NO2/c28-23-6-2-20(3-7-23)27(32,21-4-8-24(29)9-5-21)22-14-17-31(18-15-22)16-1-19-33-26-12-10-25(30)11-13-26/h2-13,22,32H,1,14-19H2
InChIKeyWUDDENHOGSEFMQ-UHFFFAOYSA-N
XLogP5.52
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.52
LogP ≤ 55.52
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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Related Compounds

(+)-Femoxetine
CID 3012003
UK 78282
CID 656768
4-(3-(4-(Cyclopentyl(hydroxy)(phenyl)methyl)piperidin-1-yl)propoxy)benzonitrile
CID 46926632
4-[2-(4-Benzyl-piperidin-1-yl)-ethoxy]-phenol
CID 10086803
4-(3-{4-[(S)-Cyclopentyl(Hydroxy)phenylmethyl]piperidin-1-Yl}propoxy)benzonitrile
CID 49791889
4-(3-{4-[(R)-Cyclopentyl(Hydroxy)phenylmethyl]piperidin-1-Yl}propoxy)benzonitrile
CID 49791890
4-[(4-Fluoro-phenoxy)-phenyl-methyl]-piperidine
CID 9795842
4-[(3-Fluoro-phenoxy)-phenyl-methyl]-piperidine
CID 9817317
4-[(4-Fluoro-phenoxy)-(4-fluoro-phenyl)-methyl]-piperidine
CID 9817902
1-((2-Methoxyphenyl)(phenyl)methyl)-4-phenylpiperidin-4-ol
CID 10109899
4-[Hydroxy(diphenyl)methyl]-1-[3-(phenyloxy)propyl]-1-azoniabicyclo[2.2.2]octane Bromide
CID 11691949
4-[Hydroxy(diphenyl)methyl]-1-[2-(phenyloxy)ethyl]-1-azoniabicyclo[2.2.2]octane Bromide
CID 11705919

Frequently Asked Questions

What is the IUPAC name of [1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol?
The IUPAC name of [1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol (CID 23036286) is [1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol.
What is the SMILES notation for [1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol?
The canonical SMILES for [1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol is OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CCN(CCCOc2ccc(F)cc2)CC1.
What is the InChIKey of [1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol?
The InChIKey is WUDDENHOGSEFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3NO2/c28-23-6-2-20(3-7-23)27(32,21-4-8-24(29)9-5-21)22-14-17-31(18-15-22)16-1-19-33-26-12-10-25(30)11-13-26/h2-13,22,32H,1,14-19H2.
What are the key properties of [1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol?
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol has a molecular weight of 455.52 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol is sourced from PubChem (CID 23036286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).