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

C16H19NO3 — CID 60817027

IUPAC(2,5-dimethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)phenyl]methanone
SMILESCC1CN(C(=O)c2cccc(C#CCO)c2)C(C)CO1
InChIInChI=1S/C16H19NO3/c1-12-11-20-13(2)10-17(12)16(19)15-7-3-5-14(9-15)6-4-8-18/h3,5,7,9,12-13,18H,8,10-11H2,1-2H3
InChIKeyYRFHEVUQNBDLBW-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.28
Rot. Bonds1

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

(2,5-dimethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)phenyl]methanone (PubChem CID 60817027) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (2,5-dimethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)phenyl]methanone.

Molecular Properties

Compound Name(2,5-dimethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)phenyl]methanone
PubChem CID60817027
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(2,5-dimethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)phenyl]methanone
SMILESCC1CN(C(=O)c2cccc(C#CCO)c2)C(C)CO1
InChIInChI=1S/C16H19NO3/c1-12-11-20-13(2)10-17(12)16(19)15-7-3-5-14(9-15)6-4-8-18/h3,5,7,9,12-13,18H,8,10-11H2,1-2H3
InChIKeyYRFHEVUQNBDLBW-UHFFFAOYSA-N
XLogP1.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.28
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

(2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone
CID 47163087
(3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43420926
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[4-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 81208500
3-(5-ethyl-2-methylmorpholine-4-carbonyl)benzonitrile
CID 60645396
(2,5-dimethylmorpholin-4-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 51077388
3-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide
CID 94051447
(2,5-dimethylmorpholin-4-yl)-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 60821084
[3-(difluoromethoxy)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone
CID 51077390
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[3-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 65324734
[3-(3-hydroxyprop-1-ynyl)phenyl]-(4-methylazepan-1-yl)methanone
CID 63625131
(3-chloro-4-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 103734967
3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816355

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)phenyl]methanone?
The IUPAC name of (2,5-dimethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)phenyl]methanone (CID 60817027) is (2,5-dimethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)phenyl]methanone.
What is the SMILES notation for (2,5-dimethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)phenyl]methanone?
The canonical SMILES for (2,5-dimethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)phenyl]methanone is CC1CN(C(=O)c2cccc(C#CCO)c2)C(C)CO1.
What is the InChIKey of (2,5-dimethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)phenyl]methanone?
The InChIKey is YRFHEVUQNBDLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-12-11-20-13(2)10-17(12)16(19)15-7-3-5-14(9-15)6-4-8-18/h3,5,7,9,12-13,18H,8,10-11H2,1-2H3.
What are the key properties of (2,5-dimethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)phenyl]methanone?
(2,5-dimethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)phenyl]methanone has a molecular weight of 273.33 g/mol, XLogP of 1.28, 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)-[3-(3-hydroxyprop-1-ynyl)phenyl]methanone is sourced from PubChem (CID 60817027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).