(2,5-dimethylmorpholin-4-yl)-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]methanone

C16H18FNO3 — CID 60821084

IUPAC(2,5-dimethylmorpholin-4-yl)-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]methanone
SMILESCC1CN(C(=O)c2ccc(F)cc2C#CCO)C(C)CO1
InChIInChI=1S/C16H18FNO3/c1-11-10-21-12(2)9-18(11)16(20)15-6-5-14(17)8-13(15)4-3-7-19/h5-6,8,11-12,19H,7,9-10H2,1-2H3
InChIKeyOVKSGNWJWMVVRO-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.42
Rot. Bonds1

About (2,5-dimethylmorpholin-4-yl)-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]methanone

(2,5-dimethylmorpholin-4-yl)-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]methanone (PubChem CID 60821084) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is (2,5-dimethylmorpholin-4-yl)-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]methanone.

Molecular Properties

Compound Name(2,5-dimethylmorpholin-4-yl)-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]methanone
PubChem CID60821084
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name(2,5-dimethylmorpholin-4-yl)-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]methanone
SMILESCC1CN(C(=O)c2ccc(F)cc2C#CCO)C(C)CO1
InChIInChI=1S/C16H18FNO3/c1-11-10-21-12(2)9-18(11)16(20)15-6-5-14(17)8-13(15)4-3-7-19/h5-6,8,11-12,19H,7,9-10H2,1-2H3
InChIKeyOVKSGNWJWMVVRO-UHFFFAOYSA-N
XLogP1.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.42
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

[2-(3-aminoprop-1-ynyl)-5-fluorophenyl]-(2,5-dimethylmorpholin-4-yl)methanone
CID 60822361
(2,5-dimethylmorpholin-4-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 103887571
(2,3-dimethylpiperidin-1-yl)-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 62124182
[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-(3-methylmorpholin-4-yl)methanone
CID 60822242
[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-pyrrolidin-1-ylmethanone
CID 54921940
(2,5-dimethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 60817027
(2,5-dimethylmorpholin-4-yl)-(2-fluoro-4-methylphenyl)methanone
CID 79771017
(2,4-diaminophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 61095610
(3,4-dimethylpyrrolidin-1-yl)-[5-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 79181457
[4-fluoro-2-(trifluoromethyl)phenyl]-[(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 97157511
(2,4-dimethylpiperidin-1-yl)-[5-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 62331676
(3,5-dimethylpiperidin-1-yl)-[5-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 60816432

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylmorpholin-4-yl)-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]methanone?
The IUPAC name of (2,5-dimethylmorpholin-4-yl)-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]methanone (CID 60821084) is (2,5-dimethylmorpholin-4-yl)-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]methanone.
What is the SMILES notation for (2,5-dimethylmorpholin-4-yl)-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]methanone?
The canonical SMILES for (2,5-dimethylmorpholin-4-yl)-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]methanone is CC1CN(C(=O)c2ccc(F)cc2C#CCO)C(C)CO1.
What is the InChIKey of (2,5-dimethylmorpholin-4-yl)-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]methanone?
The InChIKey is OVKSGNWJWMVVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-11-10-21-12(2)9-18(11)16(20)15-6-5-14(17)8-13(15)4-3-7-19/h5-6,8,11-12,19H,7,9-10H2,1-2H3.
What are the key properties of (2,5-dimethylmorpholin-4-yl)-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]methanone?
(2,5-dimethylmorpholin-4-yl)-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]methanone has a molecular weight of 291.32 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylmorpholin-4-yl)-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]methanone is sourced from PubChem (CID 60821084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).