4-(3-amino-4-hydroxyphenyl)-1-morpholin-4-ylbutan-1-one

C14H20N2O3 — CID 67900368

IUPAC4-(3-amino-4-hydroxyphenyl)-1-morpholin-4-ylbutan-1-one
SMILESNc1cc(CCCC(=O)N2CCOCC2)ccc1O
InChIInChI=1S/C14H20N2O3/c15-12-10-11(4-5-13(12)17)2-1-3-14(18)16-6-8-19-9-7-16/h4-5,10,17H,1-3,6-9,15H2
InChIKeyJHFCWIXXXVQQIK-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.16
Rot. Bonds4

About 4-(3-amino-4-hydroxyphenyl)-1-morpholin-4-ylbutan-1-one

4-(3-amino-4-hydroxyphenyl)-1-morpholin-4-ylbutan-1-one (PubChem CID 67900368) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-(3-amino-4-hydroxyphenyl)-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name4-(3-amino-4-hydroxyphenyl)-1-morpholin-4-ylbutan-1-one
PubChem CID67900368
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-(3-amino-4-hydroxyphenyl)-1-morpholin-4-ylbutan-1-one
SMILESNc1cc(CCCC(=O)N2CCOCC2)ccc1O
InChIInChI=1S/C14H20N2O3/c15-12-10-11(4-5-13(12)17)2-1-3-14(18)16-6-8-19-9-7-16/h4-5,10,17H,1-3,6-9,15H2
InChIKeyJHFCWIXXXVQQIK-UHFFFAOYSA-N
XLogP1.16
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-3-hydroxyphenyl)-1-morpholin-4-ylethanone
CID 69370465
15-(3,4-dihydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one
CID 10573249
3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one
CID 139029147
4-(4-amino-3-chlorophenyl)sulfanyl-1-morpholin-4-ylbutan-1-one
CID 79149550
4-(3,4-dimethylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 110624580
4-(3,4-dichlorophenyl)-1-piperazin-1-ylbutan-1-one
CID 83931253
5-morpholin-4-yl-5-oxopentanamide
CID 135345694
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
4-(2-bromophenyl)-1-morpholin-4-ylbutan-1-one
CID 166222857
5-amino-1-morpholin-4-ylpentan-1-one
CID 54404632
4-[(3-amino-2-pyridinyl)sulfanyl]-1-morpholin-4-ylbutan-1-one
CID 43300198
4-(4-aminophenyl)-1-thiomorpholin-4-ylbutan-1-one
CID 19772115

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-hydroxyphenyl)-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 4-(3-amino-4-hydroxyphenyl)-1-morpholin-4-ylbutan-1-one (CID 67900368) is 4-(3-amino-4-hydroxyphenyl)-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 4-(3-amino-4-hydroxyphenyl)-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 4-(3-amino-4-hydroxyphenyl)-1-morpholin-4-ylbutan-1-one is Nc1cc(CCCC(=O)N2CCOCC2)ccc1O.
What is the InChIKey of 4-(3-amino-4-hydroxyphenyl)-1-morpholin-4-ylbutan-1-one?
The InChIKey is JHFCWIXXXVQQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-12-10-11(4-5-13(12)17)2-1-3-14(18)16-6-8-19-9-7-16/h4-5,10,17H,1-3,6-9,15H2.
What are the key properties of 4-(3-amino-4-hydroxyphenyl)-1-morpholin-4-ylbutan-1-one?
4-(3-amino-4-hydroxyphenyl)-1-morpholin-4-ylbutan-1-one has a molecular weight of 264.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-hydroxyphenyl)-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 67900368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).