[2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(3-methyl-4-pyridinyl)methanone

C19H21FN2O3 — CID 132764631

IUPAC[2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(3-methyl-4-pyridinyl)methanone
SMILESCc1cnccc1C(=O)N1CCOC(CO)(Cc2cccc(F)c2)C1
InChIInChI=1S/C19H21FN2O3/c1-14-11-21-6-5-17(14)18(24)22-7-8-25-19(12-22,13-23)10-15-3-2-4-16(20)9-15/h2-6,9,11,23H,7-8,10,12-13H2,1H3
InChIKeyAITZMGHQGIDKEL-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.98
Rot. Bonds4

About [2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(3-methyl-4-pyridinyl)methanone

[2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(3-methyl-4-pyridinyl)methanone (PubChem CID 132764631) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is [2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(3-methyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(3-methyl-4-pyridinyl)methanone
PubChem CID132764631
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name[2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(3-methyl-4-pyridinyl)methanone
SMILESCc1cnccc1C(=O)N1CCOC(CO)(Cc2cccc(F)c2)C1
InChIInChI=1S/C19H21FN2O3/c1-14-11-21-6-5-17(14)18(24)22-7-8-25-19(12-22,13-23)10-15-3-2-4-16(20)9-15/h2-6,9,11,23H,7-8,10,12-13H2,1H3
InChIKeyAITZMGHQGIDKEL-UHFFFAOYSA-N
XLogP1.98
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-4-yl)methanone
CID 132776943
3-[2-benzyl-2-(hydroxymethyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one
CID 132765032
[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone
CID 132776944
[4-[(3-ethylimidazol-4-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 132776956
[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-pyridazin-3-ylmethanone
CID 132649107
[2-[(3-fluorophenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]morpholin-2-yl]methanol
CID 155992748
(5-cyclopropyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)-2-[(3-methylphenyl)methyl]morpholin-4-yl]methanone
CID 132764967
(2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide
CID 92569626
[2-[(2-fluorophenyl)methyl]-4-[(3-methyl-4-pyridinyl)methyl]morpholin-2-yl]methanol
CID 132764204
1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone
CID 132770875
1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone
CID 132770482
1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
CID 171699942

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(3-methyl-4-pyridinyl)methanone?
The IUPAC name of [2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(3-methyl-4-pyridinyl)methanone (CID 132764631) is [2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(3-methyl-4-pyridinyl)methanone.
What is the SMILES notation for [2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(3-methyl-4-pyridinyl)methanone?
The canonical SMILES for [2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(3-methyl-4-pyridinyl)methanone is Cc1cnccc1C(=O)N1CCOC(CO)(Cc2cccc(F)c2)C1.
What is the InChIKey of [2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(3-methyl-4-pyridinyl)methanone?
The InChIKey is AITZMGHQGIDKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-14-11-21-6-5-17(14)18(24)22-7-8-25-19(12-22,13-23)10-15-3-2-4-16(20)9-15/h2-6,9,11,23H,7-8,10,12-13H2,1H3.
What are the key properties of [2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(3-methyl-4-pyridinyl)methanone?
[2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(3-methyl-4-pyridinyl)methanone has a molecular weight of 344.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(3-methyl-4-pyridinyl)methanone is sourced from PubChem (CID 132764631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).