4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one

C13H18N2O3 — CID 163448135

IUPAC4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(NCCCO)cc1
InChIInChI=1S/C13H18N2O3/c16-8-1-6-14-11-2-4-12(5-3-11)15-7-9-18-10-13(15)17/h2-5,14,16H,1,6-10H2
InChIKeyBEGQKSISXWDJIS-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.84
Rot. Bonds5

About 4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one

4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one (PubChem CID 163448135) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one
PubChem CID163448135
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(NCCCO)cc1
InChIInChI=1S/C13H18N2O3/c16-8-1-6-14-11-2-4-12(5-3-11)15-7-9-18-10-13(15)17/h2-5,14,16H,1,6-10H2
InChIKeyBEGQKSISXWDJIS-UHFFFAOYSA-N
XLogP0.84
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(hydroxymethylamino)phenyl]morpholin-3-one
CID 70327805
4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one
CID 59515485
4-[4-[[(2R)-aziridin-2-yl]methylamino]phenyl]morpholin-3-one
CID 59515495
4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-one;hydrochloride
CID 70873276
2-[2-hydroxy-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]isoindole-1,3-dione
CID 174863982
4-[4-(propan-2-ylamino)phenyl]morpholin-3-one
CID 70327069
2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
CID 168524282
bis[(2R)-1-chloro-3-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl] sulfate
CID 118377688
N-[4-(3-oxomorpholin-4-yl)phenyl]butane-1-sulfonamide
CID 110363609
2-fluoro-N-[4-(3-oxomorpholin-4-yl)phenyl]benzamide
CID 110363540
7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 12887277
4-[4-[(2-hydroxy-3-phenylmethoxypropyl)amino]phenyl]morpholin-3-one
CID 123840212

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one?
The IUPAC name of 4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one (CID 163448135) is 4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one.
What is the SMILES notation for 4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one?
The canonical SMILES for 4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one is O=C1COCCN1c1ccc(NCCCO)cc1.
What is the InChIKey of 4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one?
The InChIKey is BEGQKSISXWDJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-8-1-6-14-11-2-4-12(5-3-11)15-7-9-18-10-13(15)17/h2-5,14,16H,1,6-10H2.
What are the key properties of 4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one?
4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one has a molecular weight of 250.30 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one is sourced from PubChem (CID 163448135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).