4-(3-fluoro-4-piperidin-1-ylphenoxy)oxolan-3-ol

C15H20FNO3 — CID 161251606

IUPAC4-(3-fluoro-4-piperidin-1-ylphenoxy)oxolan-3-ol
SMILESOC1COCC1Oc1ccc(N2CCCCC2)c(F)c1
InChIInChI=1S/C15H20FNO3/c16-12-8-11(20-15-10-19-9-14(15)18)4-5-13(12)17-6-2-1-3-7-17/h4-5,8,14-15,18H,1-3,6-7,9-10H2
InChIKeyODIYAFHIRVJUJA-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.95
Rot. Bonds3

About 4-(3-fluoro-4-piperidin-1-ylphenoxy)oxolan-3-ol

4-(3-fluoro-4-piperidin-1-ylphenoxy)oxolan-3-ol (PubChem CID 161251606) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-(3-fluoro-4-piperidin-1-ylphenoxy)oxolan-3-ol.

Molecular Properties

Compound Name4-(3-fluoro-4-piperidin-1-ylphenoxy)oxolan-3-ol
PubChem CID161251606
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name4-(3-fluoro-4-piperidin-1-ylphenoxy)oxolan-3-ol
SMILESOC1COCC1Oc1ccc(N2CCCCC2)c(F)c1
InChIInChI=1S/C15H20FNO3/c16-12-8-11(20-15-10-19-9-14(15)18)4-5-13(12)17-6-2-1-3-7-17/h4-5,8,14-15,18H,1-3,6-7,9-10H2
InChIKeyODIYAFHIRVJUJA-UHFFFAOYSA-N
XLogP1.95
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[2-fluoro-4-(oxan-3-yloxy)phenyl]piperidin-4-amine
CID 107137326
(3R,4R)-4-[4-[4-[2-[5-amino-8-(furan-2-yl)-[1,2,4]triazolo[5,1-f]purin-3-yl]ethyl]piperazin-1-yl]-3-fluorophenoxy]oxolan-3-ol
CID 146468006
(3S,4S)-4-[4-[4-[2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]-3-fluorophenoxy]oxolan-3-ol
CID 146468321
1-[2-fluoro-4-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyphenyl]piperazine
CID 151864546
(3S,4S)-4-[4-[4-[2-[[4-amino-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]-methylamino]ethyl]piperazin-1-yl]-3-fluorophenoxy]oxolan-3-ol
CID 146467525
3-(3-fluoro-4-methylphenoxy)oxan-4-ol
CID 107170261
3-fluoro-4-piperidin-1-ylbenzonitrile
CID 807896
(3R)-4-(4-bromo-2,6-difluorophenoxy)oxolan-3-ol
CID 170792421
ethyl 1-(3-fluoro-4-piperidin-1-ylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50879603
3-fluoro-4-pyrrolidin-1-ylbenzoic acid
CID 28604177
1-(3-fluoro-4-piperidin-1-ylphenyl)cyclopropan-1-amine
CID 84797023
(3R)-4-[3-fluoro-4-[2-fluoro-4-[(3S)-4-hydroxy-3-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]but-1-ynyl]phenyl]phenoxy]oxolan-3-ol
CID 170792678

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-piperidin-1-ylphenoxy)oxolan-3-ol?
The IUPAC name of 4-(3-fluoro-4-piperidin-1-ylphenoxy)oxolan-3-ol (CID 161251606) is 4-(3-fluoro-4-piperidin-1-ylphenoxy)oxolan-3-ol.
What is the SMILES notation for 4-(3-fluoro-4-piperidin-1-ylphenoxy)oxolan-3-ol?
The canonical SMILES for 4-(3-fluoro-4-piperidin-1-ylphenoxy)oxolan-3-ol is OC1COCC1Oc1ccc(N2CCCCC2)c(F)c1.
What is the InChIKey of 4-(3-fluoro-4-piperidin-1-ylphenoxy)oxolan-3-ol?
The InChIKey is ODIYAFHIRVJUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c16-12-8-11(20-15-10-19-9-14(15)18)4-5-13(12)17-6-2-1-3-7-17/h4-5,8,14-15,18H,1-3,6-7,9-10H2.
What are the key properties of 4-(3-fluoro-4-piperidin-1-ylphenoxy)oxolan-3-ol?
4-(3-fluoro-4-piperidin-1-ylphenoxy)oxolan-3-ol has a molecular weight of 281.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-piperidin-1-ylphenoxy)oxolan-3-ol is sourced from PubChem (CID 161251606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).