[3-fluoro-5-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]methanol

C15H21FN2O2 — CID 106529890

IUPAC[3-fluoro-5-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]methanol
SMILESOCc1cc(F)cc(N2CCC(N3CCOCC3)C2)c1
InChIInChI=1S/C15H21FN2O2/c16-13-7-12(11-19)8-15(9-13)18-2-1-14(10-18)17-3-5-20-6-4-17/h7-9,14,19H,1-6,10-11H2
InChIKeyPOURXGPYEMZSAO-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.23
Rot. Bonds3

About [3-fluoro-5-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]methanol

[3-fluoro-5-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]methanol (PubChem CID 106529890) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is [3-fluoro-5-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-5-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]methanol
PubChem CID106529890
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name[3-fluoro-5-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]methanol
SMILESOCc1cc(F)cc(N2CCC(N3CCOCC3)C2)c1
InChIInChI=1S/C15H21FN2O2/c16-13-7-12(11-19)8-15(9-13)18-2-1-14(10-18)17-3-5-20-6-4-17/h7-9,14,19H,1-6,10-11H2
InChIKeyPOURXGPYEMZSAO-UHFFFAOYSA-N
XLogP1.23
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[3-(chloromethyl)-5-fluorophenyl]pyrrolidin-3-yl]morpholine
CID 106530449
[2-(3-morpholin-4-ylpyrrolidin-1-yl)-4-pyridinyl]methanol
CID 63171090
1-[1-[3-fluoro-5-(hydroxymethyl)phenyl]piperidin-4-yl]ethanol
CID 106836470
(3-fluoro-5-thiomorpholin-4-ylphenyl)methanol
CID 106529680
1-[4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 63794882
2-amino-5-(3-morpholin-4-ylpyrrolidin-1-yl)benzoic acid
CID 63174659
4-[1-[6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
CID 133484407
N'-hydroxy-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide
CID 76986915
(1S)-1-[5-fluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 78930853
N-[(3-fluorophenyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727014
4-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-2-carbonitrile
CID 63511845
[3-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]methanol
CID 106529884

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]methanol?
The IUPAC name of [3-fluoro-5-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]methanol (CID 106529890) is [3-fluoro-5-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]methanol.
What is the SMILES notation for [3-fluoro-5-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]methanol?
The canonical SMILES for [3-fluoro-5-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]methanol is OCc1cc(F)cc(N2CCC(N3CCOCC3)C2)c1.
What is the InChIKey of [3-fluoro-5-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]methanol?
The InChIKey is POURXGPYEMZSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c16-13-7-12(11-19)8-15(9-13)18-2-1-14(10-18)17-3-5-20-6-4-17/h7-9,14,19H,1-6,10-11H2.
What are the key properties of [3-fluoro-5-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]methanol?
[3-fluoro-5-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]methanol has a molecular weight of 280.34 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]methanol is sourced from PubChem (CID 106529890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).