3-[3-[(3-ethylmorpholin-4-yl)methyl]-5-fluorophenyl]prop-2-yn-1-ol

C16H20FNO2 — CID 79705351

IUPAC3-[3-[(3-ethylmorpholin-4-yl)methyl]-5-fluorophenyl]prop-2-yn-1-ol
SMILESCCC1COCCN1Cc1cc(F)cc(C#CCO)c1
InChIInChI=1S/C16H20FNO2/c1-2-16-12-20-7-5-18(16)11-14-8-13(4-3-6-19)9-15(17)10-14/h8-10,16,19H,2,5-7,11-12H2,1H3
InChIKeyZUBGCGBMOZEVLG-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.78
Rot. Bonds3

About 3-[3-[(3-ethylmorpholin-4-yl)methyl]-5-fluorophenyl]prop-2-yn-1-ol

3-[3-[(3-ethylmorpholin-4-yl)methyl]-5-fluorophenyl]prop-2-yn-1-ol (PubChem CID 79705351) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 3-[3-[(3-ethylmorpholin-4-yl)methyl]-5-fluorophenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[3-[(3-ethylmorpholin-4-yl)methyl]-5-fluorophenyl]prop-2-yn-1-ol
PubChem CID79705351
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name3-[3-[(3-ethylmorpholin-4-yl)methyl]-5-fluorophenyl]prop-2-yn-1-ol
SMILESCCC1COCCN1Cc1cc(F)cc(C#CCO)c1
InChIInChI=1S/C16H20FNO2/c1-2-16-12-20-7-5-18(16)11-14-8-13(4-3-6-19)9-15(17)10-14/h8-10,16,19H,2,5-7,11-12H2,1H3
InChIKeyZUBGCGBMOZEVLG-UHFFFAOYSA-N
XLogP1.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-fluoro-5-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 83044304
3-[3-fluoro-5-[[2-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-ol
CID 79710004
3-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]prop-2-yn-1-ol
CID 79710905
3-[3-[(2,5-dimethylpiperidin-1-yl)methyl]-5-fluorophenyl]prop-2-yn-1-ol
CID 79709955
3-[3-[(3-ethylpiperidin-1-yl)methyl]-5-fluorophenyl]prop-2-yn-1-ol
CID 79704277
1-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 79698660
(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
4-[(3-cyano-5-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide
CID 83098273
3-[3-fluoro-5-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 83044125
3-[3-fluoro-5-[(5-methylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 79709808
3-[3-fluoro-5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-ol
CID 79710520
methyl 4-[(3-cyano-5-fluorophenyl)methyl]morpholine-3-carboxylate
CID 104775050

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-ethylmorpholin-4-yl)methyl]-5-fluorophenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[3-[(3-ethylmorpholin-4-yl)methyl]-5-fluorophenyl]prop-2-yn-1-ol (CID 79705351) is 3-[3-[(3-ethylmorpholin-4-yl)methyl]-5-fluorophenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[3-[(3-ethylmorpholin-4-yl)methyl]-5-fluorophenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[3-[(3-ethylmorpholin-4-yl)methyl]-5-fluorophenyl]prop-2-yn-1-ol is CCC1COCCN1Cc1cc(F)cc(C#CCO)c1.
What is the InChIKey of 3-[3-[(3-ethylmorpholin-4-yl)methyl]-5-fluorophenyl]prop-2-yn-1-ol?
The InChIKey is ZUBGCGBMOZEVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-2-16-12-20-7-5-18(16)11-14-8-13(4-3-6-19)9-15(17)10-14/h8-10,16,19H,2,5-7,11-12H2,1H3.
What are the key properties of 3-[3-[(3-ethylmorpholin-4-yl)methyl]-5-fluorophenyl]prop-2-yn-1-ol?
3-[3-[(3-ethylmorpholin-4-yl)methyl]-5-fluorophenyl]prop-2-yn-1-ol has a molecular weight of 277.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-ethylmorpholin-4-yl)methyl]-5-fluorophenyl]prop-2-yn-1-ol is sourced from PubChem (CID 79705351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).